1-cyclopentyl-10-methyltetradecane-1,10-diamine

C20H42N2 — CID 57080271

IUPAC1-cyclopentyl-10-methyltetradecane-1,10-diamine
SMILESCCCCC(C)(N)CCCCCCCCC(N)C1CCCC1
InChIInChI=1S/C20H42N2/c1-3-4-16-20(2,22)17-12-8-6-5-7-9-15-19(21)18-13-10-11-14-18/h18-19H,3-17,21-22H2,1-2H3
InChIKeyUQHXJBOEHKIBFT-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.53
Rot. Bonds13

About 1-cyclopentyl-10-methyltetradecane-1,10-diamine

1-cyclopentyl-10-methyltetradecane-1,10-diamine (PubChem CID 57080271) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-cyclopentyl-10-methyltetradecane-1,10-diamine.

Molecular Properties

Compound Name1-cyclopentyl-10-methyltetradecane-1,10-diamine
PubChem CID57080271
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name1-cyclopentyl-10-methyltetradecane-1,10-diamine
SMILESCCCCC(C)(N)CCCCCCCCC(N)C1CCCC1
InChIInChI=1S/C20H42N2/c1-3-4-16-20(2,22)17-12-8-6-5-7-9-15-19(21)18-13-10-11-14-18/h18-19H,3-17,21-22H2,1-2H3
InChIKeyUQHXJBOEHKIBFT-UHFFFAOYSA-N
XLogP5.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptylheptan-1-amine
CID 65399314
1-cyclobutylnonan-1-amine
CID 64986616
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cyclopropyl-6,6-dimethylheptan-1-amine
CID 64504875
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
1-cyclohexyl-3,3-didecyl-5-pentylpentadecane-1,5-diamine
CID 150612196
(1R)-1-cyclobutylbutan-1-amine
CID 55293085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-10-methyltetradecane-1,10-diamine?
The IUPAC name of 1-cyclopentyl-10-methyltetradecane-1,10-diamine (CID 57080271) is 1-cyclopentyl-10-methyltetradecane-1,10-diamine.
What is the SMILES notation for 1-cyclopentyl-10-methyltetradecane-1,10-diamine?
The canonical SMILES for 1-cyclopentyl-10-methyltetradecane-1,10-diamine is CCCCC(C)(N)CCCCCCCCC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-10-methyltetradecane-1,10-diamine?
The InChIKey is UQHXJBOEHKIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-3-4-16-20(2,22)17-12-8-6-5-7-9-15-19(21)18-13-10-11-14-18/h18-19H,3-17,21-22H2,1-2H3.
What are the key properties of 1-cyclopentyl-10-methyltetradecane-1,10-diamine?
1-cyclopentyl-10-methyltetradecane-1,10-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.53, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-10-methyltetradecane-1,10-diamine is sourced from PubChem (CID 57080271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).