2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine

C15H29N — CID 106661603

IUPAC2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCCCC1NC1CC(C)(C)CC1C
InChIInChI=1S/C15H29N/c1-11-7-5-6-8-13(11)16-14-10-15(3,4)9-12(14)2/h11-14,16H,5-10H2,1-4H3
InChIKeyIRXGUAXRTRNHJC-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds2

About 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine

2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine (PubChem CID 106661603) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine
PubChem CID106661603
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCCCC1NC1CC(C)(C)CC1C
InChIInChI=1S/C15H29N/c1-11-7-5-6-8-13(11)16-14-10-15(3,4)9-12(14)2/h11-14,16H,5-10H2,1-4H3
InChIKeyIRXGUAXRTRNHJC-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-(2,4,4-trimethylcyclopentyl)cyclohexanamine
CID 106661501
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
CID 65082506
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
(3S)-3-[[(1R,2R)-2,4,4-trimethylcyclopentyl]amino]azepan-2-one
CID 124829255
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
CID 97358044
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine
CID 79958244
N-(2-methylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine (CID 106661603) is 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine is CC1CCCCC1NC1CC(C)(C)CC1C.
What is the InChIKey of 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine?
The InChIKey is IRXGUAXRTRNHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-7-5-6-8-13(11)16-14-10-15(3,4)9-12(14)2/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine?
2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine is sourced from PubChem (CID 106661603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).