1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine

C19H42N4 — CID 126558925

IUPAC1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine
SMILESCC(CN)NC(N[C@H](C)N)C(C)C1CCCCCCCCCC1
InChIInChI=1S/C19H42N4/c1-15(14-20)22-19(23-17(3)21)16(2)18-12-10-8-6-4-5-7-9-11-13-18/h15-19,22-23H,4-14,20-21H2,1-3H3/t15?,16?,17-,19?/m1/s1
InChIKeyNFVCYUOASPJSLC-APUKJBRXSA-N
MW326.57 g/mol
LogP3.31
Rot. Bonds7

About 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine

1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine (PubChem CID 126558925) has the molecular formula C19H42N4 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine
PubChem CID126558925
Molecular FormulaC19H42N4
Molecular Weight326.57 g/mol
Exact Mass326.34
IUPAC Name1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine
SMILESCC(CN)NC(N[C@H](C)N)C(C)C1CCCCCCCCCC1
InChIInChI=1S/C19H42N4/c1-15(14-20)22-19(23-17(3)21)16(2)18-12-10-8-6-4-5-7-9-11-13-18/h15-19,22-23H,4-14,20-21H2,1-3H3/t15?,16?,17-,19?/m1/s1
InChIKeyNFVCYUOASPJSLC-APUKJBRXSA-N
XLogP3.31
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 103387479
(2S)-2-cycloheptylpropan-1-amine
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CID 24837056
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2-cyclohexylpentan-3-amine
CID 79308576
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
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(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine
CID 118145189
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine?
The IUPAC name of 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine (CID 126558925) is 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine?
The canonical SMILES for 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine is CC(CN)NC(N[C@H](C)N)C(C)C1CCCCCCCCCC1.
What is the InChIKey of 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine?
The InChIKey is NFVCYUOASPJSLC-APUKJBRXSA-N. The full InChI is InChI=1S/C19H42N4/c1-15(14-20)22-19(23-17(3)21)16(2)18-12-10-8-6-4-5-7-9-11-13-18/h15-19,22-23H,4-14,20-21H2,1-3H3/t15?,16?,17-,19?/m1/s1.
What are the key properties of 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine?
1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine has a molecular weight of 326.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1R)-1-aminoethyl]-1-N-(1-aminopropan-2-yl)-2-cycloundecylpropane-1,1-diamine is sourced from PubChem (CID 126558925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).