1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C15H27NO — CID 103163057

IUPAC1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-3-17-14-9-12(10-14)11-15(16-2)13-7-5-4-6-8-13/h7,12,14-16H,3-6,8-11H2,1-2H3
InChIKeyRCBIMLHGHDPKOQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103163057) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103163057
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-3-17-14-9-12(10-14)11-15(16-2)13-7-5-4-6-8-13/h7,12,14-16H,3-6,8-11H2,1-2H3
InChIKeyRCBIMLHGHDPKOQ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
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

6-Methoxy-1-methyl-1,2,3,4,4a,5,6,7-octahydroisoquinoline
CID 54060540
(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62904965
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905142
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907584
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103163057) is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is RCBIMLHGHDPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-17-14-9-12(10-14)11-15(16-2)13-7-5-4-6-8-13/h7,12,14-16H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 6 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)-N-methylethanamine is sourced from PubChem (CID 103163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).