2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine

C15H29N — CID 90208733

IUPAC2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CC2CCC(N)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-4-3-5-13(8-11)10-14-6-7-15(16)12(2)9-14/h11-15H,3-10,16H2,1-2H3
InChIKeyWIHGIFSARIDSHA-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.97
Rot. Bonds2

About 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine

2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 90208733) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID90208733
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CC2CCC(N)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-4-3-5-13(8-11)10-14-6-7-15(16)12(2)9-14/h11-15H,3-10,16H2,1-2H3
InChIKeyWIHGIFSARIDSHA-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
CID 22137195
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 54467205
(3S)-3-methylcyclohexan-1-amine
CID 55284906
2,4-dimethylcyclohexan-1-amine
CID 14675373
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235
(3-methylcyclohexyl)methanamine
CID 18361468
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine
CID 160577590
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1S)-3-methylcyclohexyl]methanol
CID 89207619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine (CID 90208733) is 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine is CC1CCCC(CC2CCC(N)C(C)C2)C1.
What is the InChIKey of 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is WIHGIFSARIDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-4-3-5-13(8-11)10-14-6-7-15(16)12(2)9-14/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine?
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 90208733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).