2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine

C17H35NO — CID 116718254

IUPAC2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C(CCC)OCC
InChIInChI=1S/C17H35NO/c1-5-9-16(19-7-3)17(18-12-6-2)15-11-8-10-14(4)13-15/h14-18H,5-13H2,1-4H3
InChIKeyFEJSBMOLEFCVDT-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds9

About 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine

2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine (PubChem CID 116718254) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
PubChem CID116718254
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C(CCC)OCC
InChIInChI=1S/C17H35NO/c1-5-9-16(19-7-3)17(18-12-6-2)15-11-8-10-14(4)13-15/h14-18H,5-13H2,1-4H3
InChIKeyFEJSBMOLEFCVDT-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
(1-cyclobutyl-2-ethoxypentyl)hydrazine
CID 105271516
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 116723611
N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 104992139
N-[7-bicyclo[4.1.0]heptanyl-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991950
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 104992048
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
CID 116715897

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine (CID 116718254) is 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine is CCCNC(C1CCCC(C)C1)C(CCC)OCC.
What is the InChIKey of 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine?
The InChIKey is FEJSBMOLEFCVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-9-16(19-7-3)17(18-12-6-2)15-11-8-10-14(4)13-15/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine?
2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine is sourced from PubChem (CID 116718254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).