1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine

C14H29NO — CID 115724110

IUPAC1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine
SMILESCCC(COC)NC(C)C1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-5-14(10-16-4)15-12(3)13-8-6-7-11(2)9-13/h11-15H,5-10H2,1-4H3
InChIKeyLMVCTHHTPNXFGN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine

1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine (PubChem CID 115724110) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine
PubChem CID115724110
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine
SMILESCCC(COC)NC(C)C1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-5-14(10-16-4)15-12(3)13-8-6-7-11(2)9-13/h11-15H,5-10H2,1-4H3
InChIKeyLMVCTHHTPNXFGN-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine 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

4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 105156016
N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
N-ethyl-1-methoxy-3-[(3-methylcyclohexyl)methoxy]propan-2-amine
CID 114197059
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
3-N-(1-methoxybutan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726742
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine (CID 115724110) is 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine is CCC(COC)NC(C)C1CCCC(C)C1.
What is the InChIKey of 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine?
The InChIKey is LMVCTHHTPNXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(10-16-4)15-12(3)13-8-6-7-11(2)9-13/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine?
1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine is sourced from PubChem (CID 115724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).