1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine

C14H27NO — CID 106653067

IUPAC1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C)OCC
InChIInChI=1S/C14H27NO/c1-4-11-15-14(12(3)16-5-2)13-9-7-6-8-10-13/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyHCSWCVRWCUOUEV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine

1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine (PubChem CID 106653067) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
PubChem CID106653067
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C)OCC
InChIInChI=1S/C14H27NO/c1-4-11-15-14(12(3)16-5-2)13-9-7-6-8-10-13/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyHCSWCVRWCUOUEV-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-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-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
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-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
CID 63505814

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine (CID 106653067) is 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine is CCCNC(C1=CCCCC1)C(C)OCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine?
The InChIKey is HCSWCVRWCUOUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-11-15-14(12(3)16-5-2)13-9-7-6-8-10-13/h9,12,14-15H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine?
1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine is sourced from PubChem (CID 106653067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).