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

C12H21NO — CID 103556341

IUPAC1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCC2)CCC1
InChIInChI=1S/C12H21NO/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5,11H,2-4,6-9,13H2,1H3
InChIKeyWBZWELYDMLJIAH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds4

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

1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556341) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556341
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=CCCC2)CCC1
InChIInChI=1S/C12H21NO/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5,11H,2-4,6-9,13H2,1H3
InChIKeyWBZWELYDMLJIAH-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
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

(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 150212700
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79757909
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79758275
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556341) is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)C2=CCCC2)CCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is WBZWELYDMLJIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-12(7-4-8-12)9-11(13)10-5-2-3-6-10/h5,11H,2-4,6-9,13H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).