1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine

C17H35NO — CID 116720679

IUPAC1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(OC)C(C)C
InChIInChI=1S/C17H35NO/c1-7-10-18-16(17(19-6)12(2)3)15-9-8-13(4)14(5)11-15/h12-18H,7-11H2,1-6H3
InChIKeyNPKHXFFGLOENFA-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.10
Rot. Bonds7

About 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine

1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116720679) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116720679
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(OC)C(C)C
InChIInChI=1S/C17H35NO/c1-7-10-18-16(17(19-6)12(2)3)15-9-8-13(4)14(5)11-15/h12-18H,7-11H2,1-6H3
InChIKeyNPKHXFFGLOENFA-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
CID 116718955
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426
N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
CID 64746524
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
1-cyclopropyl-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720061
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (CID 116720679) is 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(C1CCC(C)C(C)C1)C(OC)C(C)C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is NPKHXFFGLOENFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-10-18-16(17(19-6)12(2)3)15-9-8-13(4)14(5)11-15/h12-18H,7-11H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.10, 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)-2-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).