N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine

C15H31N — CID 43370762

IUPACN-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCC1CCCC1
InChIInChI=1S/C15H31N/c1-12(2)9-15(10-13(3)4)16-11-14-7-5-6-8-14/h12-16H,5-11H2,1-4H3
InChIKeyINVZZLACNNQVLI-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds7

About N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine

N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine (PubChem CID 43370762) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
PubChem CID43370762
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCC1CCCC1
InChIInChI=1S/C15H31N/c1-12(2)9-15(10-13(3)4)16-11-14-7-5-6-8-14/h12-16H,5-11H2,1-4H3
InChIKeyINVZZLACNNQVLI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclobutylmethylamino)-4-methylpentan-1-ol
CID 65458956
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
CID 63451824
2-[(2,6-dimethylheptan-4-ylamino)methyl]cyclohexan-1-ol
CID 64927236
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
CID 94422130
2-(cyclohexylmethylamino)-N,N,4-trimethylpentanamide
CID 43674999
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine (CID 43370762) is N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine?
The InChIKey is INVZZLACNNQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)9-15(10-13(3)4)16-11-14-7-5-6-8-14/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine?
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43370762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).