1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine

C17H35NO — CID 116761248

IUPAC1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(C1CCC(C)C(C)C1)C(CC)(CC)OC
InChIInChI=1S/C17H35NO/c1-7-17(8-2,19-6)16(18-9-3)15-11-10-13(4)14(5)12-15/h13-16,18H,7-12H2,1-6H3
InChIKeyFZLSPGCALWENFD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds7

About 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine

1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine (PubChem CID 116761248) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
PubChem CID116761248
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(C1CCC(C)C(C)C1)C(CC)(CC)OC
InChIInChI=1S/C17H35NO/c1-7-17(8-2,19-6)16(18-9-3)15-11-10-13(4)14(5)12-15/h13-16,18H,7-12H2,1-6H3
InChIKeyFZLSPGCALWENFD-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-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

1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
CID 116761289
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 104989162
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
CID 116660864
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine
CID 104989547
[1-(3,4-dimethylcyclohexyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242205
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 104989358

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine (CID 116761248) is 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine is CCNC(C1CCC(C)C(C)C1)C(CC)(CC)OC.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine?
The InChIKey is FZLSPGCALWENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-17(8-2,19-6)16(18-9-3)15-11-10-13(4)14(5)12-15/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine?
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 116761248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).