(3-methylcyclopenten-1-yl)methanamine

C7H13N — CID 142947677

IUPAC(3-methylcyclopenten-1-yl)methanamine
SMILESCC1C=C(CN)CC1
InChIInChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8/h4,6H,2-3,5,8H2,1H3
InChIKeySNOXFVCYAMQYPB-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

About (3-methylcyclopenten-1-yl)methanamine

(3-methylcyclopenten-1-yl)methanamine (PubChem CID 142947677) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3-methylcyclopenten-1-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclopenten-1-yl)methanamine
PubChem CID142947677
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3-methylcyclopenten-1-yl)methanamine
SMILESCC1C=C(CN)CC1
InChIInChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8/h4,6H,2-3,5,8H2,1H3
InChIKeySNOXFVCYAMQYPB-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-6-en-1-amine
CID 3016807
(Cyclopent-1-en-1-yl)methanamine
CID 12623599
2-(Cyclopent-2-en-1-yl)ethan-1-amine
CID 19703421
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
(Cyclopent-2-en-1-yl)methanamine
CID 13040869
[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanamine
CID 130681860
Cyclopenten-1-yl(fluoro)methanamine
CID 105427045
[4-(1-Methylethenyl)-1-cyclohexen-1-yl]methylamine
CID 10374618
2-Bicyclo[2.2.1]hepta-2,5-dienylmethanamine
CID 12316786
2-(2,3-Dimethylcyclopent-3-en-1-yl)ethanamine
CID 17922398
2-(2,4-Dimethylcyclopent-3-en-1-yl)ethanamine
CID 17922407
(2,4-Dimethylcyclopent-3-en-1-yl)methanamine
CID 17922414

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopenten-1-yl)methanamine?
The IUPAC name of (3-methylcyclopenten-1-yl)methanamine (CID 142947677) is (3-methylcyclopenten-1-yl)methanamine.
What is the SMILES notation for (3-methylcyclopenten-1-yl)methanamine?
The canonical SMILES for (3-methylcyclopenten-1-yl)methanamine is CC1C=C(CN)CC1.
What is the InChIKey of (3-methylcyclopenten-1-yl)methanamine?
The InChIKey is SNOXFVCYAMQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8/h4,6H,2-3,5,8H2,1H3.
What are the key properties of (3-methylcyclopenten-1-yl)methanamine?
(3-methylcyclopenten-1-yl)methanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopenten-1-yl)methanamine is sourced from PubChem (CID 142947677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).