1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine

C16H33NO — CID 116715897

IUPAC1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C(CC)OC
InChIInChI=1S/C16H33NO/c1-6-8-17-16(15(7-2)18-5)14-10-12(3)9-13(4)11-14/h12-17H,6-11H2,1-5H3
InChIKeyYTBCEBBVTYSICR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine

1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine (PubChem CID 116715897) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
PubChem CID116715897
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C(CC)OC
InChIInChI=1S/C16H33NO/c1-6-8-17-16(15(7-2)18-5)14-10-12(3)9-13(4)11-14/h12-17H,6-11H2,1-5H3
InChIKeyYTBCEBBVTYSICR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R)-2-(hexylamino)-3-tetradecylcyclohexan-1-ol
CID 24936442
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215461
N-[1-(3,5-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215466
N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215510
N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215515
N-ethyl-1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215516
N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215522
N-[2-ethoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105165069
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165204
N-[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105165336
N-ethyl-2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165470
N-[2-methoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105165592

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine (CID 116715897) is 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine is CCCNC(C1CC(C)CC(C)C1)C(CC)OC.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The InChIKey is YTBCEBBVTYSICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-8-17-16(15(7-2)18-5)14-10-12(3)9-13(4)11-14/h12-17H,6-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116715897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).