[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine

C15H29NO — CID 62109093

IUPAC[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
SMILESCC1CCCC(OC2(CN)CCCC(C)C2)C1
InChIInChI=1S/C15H29NO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11,16H2,1-2H3
InChIKeyJCROTQAPDGKXSO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds3

About [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine

[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine (PubChem CID 62109093) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
PubChem CID62109093
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
SMILESCC1CCCC(OC2(CN)CCCC(C)C2)C1
InChIInChI=1S/C15H29NO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11,16H2,1-2H3
InChIKeyJCROTQAPDGKXSO-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
CID 114773602
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
CID 64745349
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
CID 63470076
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
[3-(3-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051664
4-[1-(iodomethyl)-3-methylcyclohexyl]oxyoxane
CID 165489538
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine (CID 62109093) is [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine is CC1CCCC(OC2(CN)CCCC(C)C2)C1.
What is the InChIKey of [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine?
The InChIKey is JCROTQAPDGKXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine?
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine is sourced from PubChem (CID 62109093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).