3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine

C12H23N — CID 103724489

IUPAC3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCC2(C)CC2)C1
InChIInChI=1S/C12H23N/c1-10-4-3-5-11(8-10)13-9-12(2)6-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyVGJVACGKSUKETP-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine

3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 103724489) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID103724489
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCC2(C)CC2)C1
InChIInChI=1S/C12H23N/c1-10-4-3-5-11(8-10)13-9-12(2)6-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyVGJVACGKSUKETP-UHFFFAOYSA-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

N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115680355
3-methyl-N-[(3-methylazetidin-3-yl)methyl]cyclopentan-1-amine
CID 130871122
3-[[(3-methylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115672584
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 107163347
N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 104586256
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N,3-dimethylcyclohexan-1-amine
CID 16771259
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
CID 130640078
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine (CID 103724489) is 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine is CC1CCCC(NCC2(C)CC2)C1.
What is the InChIKey of 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is VGJVACGKSUKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10-4-3-5-11(8-10)13-9-12(2)6-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine?
3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-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 3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).