1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine

C28H55N — CID 142721086

IUPAC1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine
SMILESCCCCCCCCCC(CCCCCCCCC[C@H]1C[C@H]1CC1CC1)N(C)C
InChIInChI=1S/C28H55N/c1-4-5-6-7-9-13-16-19-28(29(2)3)20-17-14-11-8-10-12-15-18-26-24-27(26)23-25-21-22-25/h25-28H,4-24H2,1-3H3/t26-,27+,28?/m0/s1
InChIKeyRNYWRMAYYQUPAS-MDEZFMAYSA-N
MW405.76 g/mol
LogP9.00
Rot. Bonds21

About 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine

1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine (PubChem CID 142721086) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine.

Molecular Properties

Compound Name1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine
PubChem CID142721086
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC Name1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine
SMILESCCCCCCCCCC(CCCCCCCCC[C@H]1C[C@H]1CC1CC1)N(C)C
InChIInChI=1S/C28H55N/c1-4-5-6-7-9-13-16-19-28(29(2)3)20-17-14-11-8-10-12-15-18-26-24-27(26)23-25-21-22-25/h25-28H,4-24H2,1-3H3/t26-,27+,28?/m0/s1
InChIKeyRNYWRMAYYQUPAS-MDEZFMAYSA-N
XLogP9.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623
1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
CID 126711427
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336
N,N-dimethyl-1-(2-nonylcyclopropyl)heptadecan-8-amine
CID 138529106
9-N,9-N,26-N,26-N-tetramethyl-16-[(1S,2R)-2-octylcyclopropyl]-35-[(1S,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]pentatriacontane-9,26-diamine
CID 121245733
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
N-methyl-N-[2-[2-[methyl-[1-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]hexadecan-8-yl]amino]ethyldisulfanyl]ethyl]-1-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]hexadecan-8-amine
CID 166036899
ethyl 4-[2-[11-(dimethylamino)icosyl]cyclopropyl]butanoate
CID 71678300
ethyl 6-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]hexanoate
CID 71678297
ethyl 8-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]octanoate
CID 71678465
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine?
The IUPAC name of 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine (CID 142721086) is 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine.
What is the SMILES notation for 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine?
The canonical SMILES for 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine is CCCCCCCCCC(CCCCCCCCC[C@H]1C[C@H]1CC1CC1)N(C)C.
What is the InChIKey of 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine?
The InChIKey is RNYWRMAYYQUPAS-MDEZFMAYSA-N. The full InChI is InChI=1S/C28H55N/c1-4-5-6-7-9-13-16-19-28(29(2)3)20-17-14-11-8-10-12-15-18-26-24-27(26)23-25-21-22-25/h25-28H,4-24H2,1-3H3/t26-,27+,28?/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine?
1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine has a molecular weight of 405.76 g/mol, XLogP of 9.00, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine is sourced from PubChem (CID 142721086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).