2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine

C18H37NO — CID 116769710

IUPAC2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H37NO/c1-7-14-19-16(15(8-2)9-3)18(20-6)12-10-17(4,5)11-13-18/h15-16,19H,7-14H2,1-6H3
InChIKeyWGZPTRZMRISCTC-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds8

About 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine

2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine (PubChem CID 116769710) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
PubChem CID116769710
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H37NO/c1-7-14-19-16(15(8-2)9-3)18(20-6)12-10-17(4,5)11-13-18/h15-16,19H,7-14H2,1-6H3
InChIKeyWGZPTRZMRISCTC-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-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-(1-methoxycyclobutyl)-2-methyl-N-propylbutan-1-amine
CID 116714936
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylhex-4-yn-1-amine
CID 116769667
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-methyl-N-propylpentan-1-amine
CID 107896937
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762975
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 116769675
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
CID 116764745
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611352
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine (CID 116769710) is 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine is CCCNC(C(CC)CC)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine?
The InChIKey is WGZPTRZMRISCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-14-19-16(15(8-2)9-3)18(20-6)12-10-17(4,5)11-13-18/h15-16,19H,7-14H2,1-6H3.
What are the key properties of 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine?
2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116769710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).