3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine

C9H17NO — CID 65174877

IUPAC3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC1
InChIInChI=1S/C9H17NO/c1-7(6-11-2)8-3-4-9(10)5-8/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeySSROOCDQGMIFEG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine

3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine (PubChem CID 65174877) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine
PubChem CID65174877
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC1
InChIInChI=1S/C9H17NO/c1-7(6-11-2)8-3-4-9(10)5-8/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeySSROOCDQGMIFEG-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-methoxy-3-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]propan-2-amine
CID 68396138
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
CID 118282127
2-(3-Amino-4-methylcyclopenten-1-yl)ethanol
CID 144523179
(Z,2R)-5-(1-methoxyethyl)-3,8-dimethylnon-3-en-2-amine
CID 156450643
2-(Methoxymethyl)-4-methylcyclohex-2-en-1-amine
CID 167163414
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine (CID 65174877) is 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine is COCC(C)C1=CC(N)CC1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine?
The InChIKey is SSROOCDQGMIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(6-11-2)8-3-4-9(10)5-8/h5,7,9H,3-4,6,10H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine?
3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 65174877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).