3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine

C14H29N — CID 64733168

IUPAC3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-10(2)8-13(5)15-14-7-6-11(3)12(4)9-14/h10-15H,6-9H2,1-5H3
InChIKeyQHBYHBDEHRFLPG-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds4

About 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine

3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine (PubChem CID 64733168) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
PubChem CID64733168
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H29N/c1-10(2)8-13(5)15-14-7-6-11(3)12(4)9-14/h10-15H,6-9H2,1-5H3
InChIKeyQHBYHBDEHRFLPG-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 43371977
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
N-(3-methoxybutan-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 104584846
2,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 63994492
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
CID 64501348

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine (CID 64733168) is 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine is CC(C)CC(C)NC1CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The InChIKey is QHBYHBDEHRFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10(2)8-13(5)15-14-7-6-11(3)12(4)9-14/h10-15H,6-9H2,1-5H3.
What are the key properties of 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64733168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).