1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine

C14H25NO — CID 103163055

IUPAC1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-14H,2-5,7-10,15H2,1H3
InChIKeyBZPAOFZVQDTUMJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.02
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine

1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103163055) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103163055
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-14H,2-5,7-10,15H2,1H3
InChIKeyBZPAOFZVQDTUMJ-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.02
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

(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
1-(4-Amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
CID 89153953
(1S,5R,6R)-6-methyl-5-pentan-3-yloxy-3-propan-2-ylcyclohex-3-en-1-amine
CID 89804945
(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
CID 177046376
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
Cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
Cyclopenten-1-yl(oxan-3-yl)methanamine
CID 63014527
Cyclohepten-1-yl(oxan-3-yl)methanamine
CID 63014880
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103163055) is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is BZPAOFZVQDTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-14H,2-5,7-10,15H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.02, 5 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-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103163055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).