1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine

C18H35NO — CID 106654457

IUPAC1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C(CCC)OCC
InChIInChI=1S/C18H35NO/c1-4-12-17(20-6-3)18(19-15-5-2)16-13-10-8-7-9-11-14-16/h13,17-19H,4-12,14-15H2,1-3H3
InChIKeyJIXUDWGOIYTEPI-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.84
Rot. Bonds9

About 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine

1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine (PubChem CID 106654457) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
PubChem CID106654457
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C(CCC)OCC
InChIInChI=1S/C18H35NO/c1-4-12-17(20-6-3)18(19-15-5-2)16-13-10-8-7-9-11-14-16/h13,17-19H,4-12,14-15H2,1-3H3
InChIKeyJIXUDWGOIYTEPI-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine (CID 106654457) is 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine is CCCNC(C1=CCCCCCC1)C(CCC)OCC.
What is the InChIKey of 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine?
The InChIKey is JIXUDWGOIYTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-12-17(20-6-3)18(19-15-5-2)16-13-10-8-7-9-11-14-16/h13,17-19H,4-12,14-15H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine?
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine is sourced from PubChem (CID 106654457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).