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

C17H35NO — CID 116720650

IUPAC1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(OC)C(C)C
InChIInChI=1S/C17H35NO/c1-6-12-18-16(17(19-5)13(3)4)15-10-8-14(7-2)9-11-15/h13-18H,6-12H2,1-5H3
InChIKeyGUYJKLXHMRSHHL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds8

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

1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116720650) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116720650
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(OC)C(C)C
InChIInChI=1S/C17H35NO/c1-6-12-18-16(17(19-5)13(3)4)15-10-8-14(7-2)9-11-15/h13-18H,6-12H2,1-5H3
InChIKeyGUYJKLXHMRSHHL-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720679
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-cyclopropyl-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720061
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (CID 116720650) is 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(C1CCC(CC)CC1)C(OC)C(C)C.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is GUYJKLXHMRSHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-12-18-16(17(19-5)13(3)4)15-10-8-14(7-2)9-11-15/h13-18H,6-12H2,1-5H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).