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

C13H23NO — CID 103556338

IUPAC1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCCC2)CCC1
InChIInChI=1S/C13H23NO/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6,12H,2-5,7-10,14H2,1H3
InChIKeyJIQBDAXASGOPBI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds4

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

1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556338) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556338
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCCC2)CCC1
InChIInChI=1S/C13H23NO/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6,12H,2-5,7-10,14H2,1H3
InChIKeyJIQBDAXASGOPBI-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
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

3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
3-(3-Ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65178070
Cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79760222
3-(5-Oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79922624
5,5-Dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79923275
3-(5-Oxaspiro[3.5]nonan-8-yl)cyclopent-2-en-1-amine
CID 79923989
4-(5-Oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine
CID 83261563
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556338) is 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)C2=CCCCC2)CCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is JIQBDAXASGOPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h6,12H,2-5,7-10,14H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 4 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)ethanamine is sourced from PubChem (CID 103556338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).