N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine

C24H49N — CID 123655087

IUPACN-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine
SMILESCCCC(C)C(C)CCCCCCNCCCCC(C)C1CCCC1
InChIInChI=1S/C24H49N/c1-5-14-21(2)22(3)15-8-6-7-12-19-25-20-13-11-16-23(4)24-17-9-10-18-24/h21-25H,5-20H2,1-4H3
InChIKeyNAYLYPZRIVLZKI-UHFFFAOYSA-N
MW351.66 g/mol
LogP7.60
Rot. Bonds16

About N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine

N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine (PubChem CID 123655087) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine.

Molecular Properties

Compound NameN-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine
PubChem CID123655087
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC NameN-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine
SMILESCCCC(C)C(C)CCCCCCNCCCCC(C)C1CCCC1
InChIInChI=1S/C24H49N/c1-5-14-21(2)22(3)15-8-6-7-12-19-25-20-13-11-16-23(4)24-17-9-10-18-24/h21-25H,5-20H2,1-4H3
InChIKeyNAYLYPZRIVLZKI-UHFFFAOYSA-N
XLogP7.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
octan-2-ylcyclopropane
CID 18968125
7-methyloctan-2-ylcyclohexane
CID 54518526
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
4,5-dimethylnonadecane
CID 123321090
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896
butan-2-ylcyclohexane;heptane
CID 143477095
2,9,10-trimethyltridecane
CID 123263779
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine?
The IUPAC name of N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine (CID 123655087) is N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine.
What is the SMILES notation for N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine?
The canonical SMILES for N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine is CCCC(C)C(C)CCCCCCNCCCCC(C)C1CCCC1.
What is the InChIKey of N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine?
The InChIKey is NAYLYPZRIVLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-5-14-21(2)22(3)15-8-6-7-12-19-25-20-13-11-16-23(4)24-17-9-10-18-24/h21-25H,5-20H2,1-4H3.
What are the key properties of N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine?
N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine has a molecular weight of 351.66 g/mol, XLogP of 7.60, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine is sourced from PubChem (CID 123655087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).