N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine

C15H29N — CID 81321267

IUPACN-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCC1CCCC1
InChIInChI=1S/C15H29N/c1-12-10-15(2,3)9-8-14(12)16-11-13-6-4-5-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyOUJYXVARHRCWHR-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds3

About N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine

N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321267) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321267
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCC1CCCC1
InChIInChI=1S/C15H29N/c1-12-10-15(2,3)9-8-14(12)16-11-13-6-4-5-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyOUJYXVARHRCWHR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81297441
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513
5-[[(2,4,4-trimethylcyclohexyl)amino]methyl]pyrrolidin-2-one
CID 81320803
[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 103966009
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
N-(2-methoxyethoxy)-2,4,4-trimethylcyclohexan-1-amine
CID 82714886
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine (CID 81321267) is N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is OUJYXVARHRCWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12-10-15(2,3)9-8-14(12)16-11-13-6-4-5-7-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).