1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C14H25NO — CID 103556339

IUPAC1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-15-13(12-7-4-3-5-8-12)11-14(16-2)9-6-10-14/h7,13,15H,3-6,8-11H2,1-2H3
InChIKeyTWACJGIAGKDFTG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103556339) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103556339
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-15-13(12-7-4-3-5-8-12)11-14(16-2)9-6-10-14/h7,13,15H,3-6,8-11H2,1-2H3
InChIKeyTWACJGIAGKDFTG-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 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 ≤ 53.03
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

N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760372
N-[2-(cyclohexen-1-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895687
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036048
1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036049
1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103036050
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103556339) is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is TWACJGIAGKDFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-13(12-7-4-3-5-8-12)11-14(16-2)9-6-10-14/h7,13,15H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 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-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103556339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).