1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine

C17H35NO — CID 116718387

IUPAC1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(C1CCCCCC1)C(CCC)OCC
InChIInChI=1S/C17H35NO/c1-4-11-16(19-6-3)17(18-14-5-2)15-12-9-7-8-10-13-15/h15-18H,4-14H2,1-3H3
InChIKeyOSGRAFFZZQSZJD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds9

About 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine

1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine (PubChem CID 116718387) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
PubChem CID116718387
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(C1CCCCCC1)C(CCC)OCC
InChIInChI=1S/C17H35NO/c1-4-11-16(19-6-3)17(18-14-5-2)15-12-9-7-8-10-13-15/h15-18H,4-14H2,1-3H3
InChIKeyOSGRAFFZZQSZJD-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
CID 116718254
(1-cyclobutyl-2-ethoxypentyl)hydrazine
CID 105271516
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
CID 116717006
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
(1-cyclohexyl-3-ethoxyhexan-2-yl)hydrazine
CID 105271338
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311644
1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
CID 116718958

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine?
The IUPAC name of 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine (CID 116718387) is 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine is CCCNC(C1CCCCCC1)C(CCC)OCC.
What is the InChIKey of 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine?
The InChIKey is OSGRAFFZZQSZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-11-16(19-6-3)17(18-14-5-2)15-12-9-7-8-10-13-15/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine?
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116718387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).