3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine

C11H23N — CID 21034318

IUPAC3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-12H,5-7H2,1-4H3
InChIKeyVFVXDYUGBOXKTH-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds2

About 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine

3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 21034318) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID21034318
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-12H,5-7H2,1-4H3
InChIKeyVFVXDYUGBOXKTH-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
CID 115755990
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64753219
trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine
CID 158401292
3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 115338788
3-[(3,5-dimethylcyclohexyl)amino]butanenitrile
CID 64722971
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine (CID 21034318) is 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine is CC1CC(C)CC(NC(C)C)C1.
What is the InChIKey of 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is VFVXDYUGBOXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-12H,5-7H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 21034318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).