6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine

C112H208N8 — CID 159362593

IUPAC6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine
SMILESCCCCCCCNC[C@@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2.CCCCCCCNC[C@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/4C28H52N2/c1-2-29-13-9-5-3-7-11-26-18-27(26)12-8-4-6-10-14-30-22-28-19-23-15-24(20-28)17-25(16-23)21-28;1-2-29-13-9-5-3-7-11-24-20-25(24)12-8-4-6-10-14-30-21-28-26-16-22-15-23(18-26)19-27(28)17-22;1-2-3-4-6-9-12-29-21-27-17-26(27)11-8-5-7-10-13-30-22-28-18-23-14-24(19-28)16-25(15-23)20-28;1-2-3-4-6-9-12-29-20-27-19-24(27)11-8-5-7-10-13-30-21-28-25-15-22-14-23(17-25)18-26(28)16-22/h23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3;23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3/t23?,24?,25?,26-,27+,28?;22?,23?,24-,25+,26?,27?,28?;23?,24?,25?,26-,27+,28?;22?,23?,24-,25?,26?,27+,28?/m0110/s1
InChIKeyLISNYGSQTWWWNG-BUKNQYAQSA-N
MW1666.95 g/mol
LogP27.47
Rot. Bonds68

About 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine

6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine (PubChem CID 159362593) has the molecular formula C112H208N8 and a molecular weight of 1666.95 g/mol. Its IUPAC name is 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine.

Molecular Properties

Compound Name6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine
PubChem CID159362593
Molecular FormulaC112H208N8
Molecular Weight1666.95 g/mol
Exact Mass1665.65
IUPAC Name6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine
SMILESCCCCCCCNC[C@@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2.CCCCCCCNC[C@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/4C28H52N2/c1-2-29-13-9-5-3-7-11-26-18-27(26)12-8-4-6-10-14-30-22-28-19-23-15-24(20-28)17-25(16-23)21-28;1-2-29-13-9-5-3-7-11-24-20-25(24)12-8-4-6-10-14-30-21-28-26-16-22-15-23(18-26)19-27(28)17-22;1-2-3-4-6-9-12-29-21-27-17-26(27)11-8-5-7-10-13-30-22-28-18-23-14-24(19-28)16-25(15-23)20-28;1-2-3-4-6-9-12-29-20-27-19-24(27)11-8-5-7-10-13-30-21-28-25-15-22-14-23(17-25)18-26(28)16-22/h23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3;23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3/t23?,24?,25?,26-,27+,28?;22?,23?,24-,25+,26?,27?,28?;23?,24?,25?,26-,27+,28?;22?,23?,24-,25?,26?,27+,28?/m0110/s1
InChIKeyLISNYGSQTWWWNG-BUKNQYAQSA-N
XLogP27.47
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds68
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.95
LogP ≤ 527.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine with MolForge

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Related Compounds

N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
CID 69170913
N-[6-[(1S,2R)-2-[6-(ethylamino)hexyl]cyclopropyl]hexyl]undecan-1-amine
CID 58260275
N-ethyl-N'-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 11073198
N-(2-adamantylmethyl)ethanamine
CID 81096039
N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]-N-methylbutane-1,4-diamine
CID 71064547
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 23590154
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
N-hexyladamantan-2-amine
CID 43406596

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine?
The IUPAC name of 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine (CID 159362593) is 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine.
What is the SMILES notation for 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine?
The canonical SMILES for 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine is CCCCCCCNC[C@@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2.CCCCCCCNC[C@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@@H]1C[C@@H]1CCCCCCNCC1C2CC3CC(C2)CC1C3.CCNCCCCCC[C@H]1C[C@H]1CCCCCCNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine?
The InChIKey is LISNYGSQTWWWNG-BUKNQYAQSA-N. The full InChI is InChI=1S/4C28H52N2/c1-2-29-13-9-5-3-7-11-26-18-27(26)12-8-4-6-10-14-30-22-28-19-23-15-24(20-28)17-25(16-23)21-28;1-2-29-13-9-5-3-7-11-24-20-25(24)12-8-4-6-10-14-30-21-28-26-16-22-15-23(18-26)19-27(28)17-22;1-2-3-4-6-9-12-29-21-27-17-26(27)11-8-5-7-10-13-30-22-28-18-23-14-24(19-28)16-25(15-23)20-28;1-2-3-4-6-9-12-29-20-27-19-24(27)11-8-5-7-10-13-30-21-28-25-15-22-14-23(17-25)18-26(28)16-22/h23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3;23-27,29-30H,2-22H2,1H3;22-30H,2-21H2,1H3/t23?,24?,25?,26-,27+,28?;22?,23?,24-,25+,26?,27?,28?;23?,24?,25?,26-,27+,28?;22?,23?,24-,25?,26?,27+,28?/m0110/s1.
What are the key properties of 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine?
6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine has a molecular weight of 1666.95 g/mol, XLogP of 27.47, 68 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;6-[(1R,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]-N-ethylhexan-1-amine;N-[[(1R,2R)-2-[6-(1-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine;N-[[(1S,2S)-2-[6-(2-adamantylmethylamino)hexyl]cyclopropyl]methyl]heptan-1-amine is sourced from PubChem (CID 159362593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).