1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine

C14H25NO — CID 103556345

IUPAC1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCCCC2)CCC1
InChIInChI=1S/C14H25NO/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11,15H2,1H3
InChIKeyCSIDSKBSCVIGJT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.16
Rot. Bonds4

About 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine

1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556345) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556345
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCCCC2)CCC1
InChIInChI=1S/C14H25NO/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11,15H2,1H3
InChIKeyCSIDSKBSCVIGJT-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.16
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

Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79758275
3-(5-Oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79922624
3-(5-Oxaspiro[3.5]nonan-8-yl)cyclopent-2-en-1-amine
CID 79923989
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363
1-(Cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
CID 103036047
3-(3-Methoxy-3-methylbutyl)cyclohex-2-en-1-amine
CID 103037569
3-(3-Methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 103037570
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-amine
CID 103037571
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(Cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556338

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556345) is 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)C2=CCCCCC2)CCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is CSIDSKBSCVIGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-16-14(9-6-10-14)11-13(15)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11,15H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).