(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine

C12H23N — CID 95371246

IUPAC(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC[C@H](NCC2CC2)C1
InChIInChI=1S/C12H23N/c1-12(2)7-3-4-11(8-12)13-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyQFEBWVQTVOQUKK-NSHDSACASA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds3

About (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine

(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine (PubChem CID 95371246) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
PubChem CID95371246
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC[C@H](NCC2CC2)C1
InChIInChI=1S/C12H23N/c1-12(2)7-3-4-11(8-12)13-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyQFEBWVQTVOQUKK-NSHDSACASA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107411686
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
CID 143483556
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
CID 81422987

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine (CID 95371246) is (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine is CC1(C)CCC[C@H](NCC2CC2)C1.
What is the InChIKey of (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine?
The InChIKey is QFEBWVQTVOQUKK-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N/c1-12(2)7-3-4-11(8-12)13-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine?
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 95371246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).