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

C14H27NO — CID 106654451

IUPAC1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-4-9-13(16-5-2)14(15-3)12-10-7-6-8-11-12/h10,13-15H,4-9,11H2,1-3H3
InChIKeyCHPWKDPXRNTPCA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

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

1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine (PubChem CID 106654451) 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-methylpentan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
PubChem CID106654451
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-4-9-13(16-5-2)14(15-3)12-10-7-6-8-11-12/h10,13-15H,4-9,11H2,1-3H3
InChIKeyCHPWKDPXRNTPCA-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'}

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Related Compounds

1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
CID 106654431
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
[1-(cycloocten-1-yl)-2-cyclopropyl-2-ethoxyethyl]hydrazine
CID 106649582
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine (CID 106654451) is 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine is CCCC(OCC)C(NC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine?
The InChIKey is CHPWKDPXRNTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-13(16-5-2)14(15-3)12-10-7-6-8-11-12/h10,13-15H,4-9,11H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine?
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-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-methylpentan-1-amine is sourced from PubChem (CID 106654451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).