1-cyclopent-3-en-1-yl-N-methylmethanamine

C7H13N — CID 65353623

IUPAC1-cyclopent-3-en-1-yl-N-methylmethanamine
SMILESCNCC1CC=CC1
InChIInChI=1S/C7H13N/c1-8-6-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3
InChIKeyIUEQKZIWEZDIOE-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.17
Rot. Bonds2

About 1-cyclopent-3-en-1-yl-N-methylmethanamine

1-cyclopent-3-en-1-yl-N-methylmethanamine (PubChem CID 65353623) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-N-methylmethanamine
PubChem CID65353623
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-cyclopent-3-en-1-yl-N-methylmethanamine
SMILESCNCC1CC=CC1
InChIInChI=1S/C7H13N/c1-8-6-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3
InChIKeyIUEQKZIWEZDIOE-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-N-methylmethanamine?
The IUPAC name of 1-cyclopent-3-en-1-yl-N-methylmethanamine (CID 65353623) is 1-cyclopent-3-en-1-yl-N-methylmethanamine.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-N-methylmethanamine?
The canonical SMILES for 1-cyclopent-3-en-1-yl-N-methylmethanamine is CNCC1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-N-methylmethanamine?
The InChIKey is IUEQKZIWEZDIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-8-6-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 1-cyclopent-3-en-1-yl-N-methylmethanamine?
1-cyclopent-3-en-1-yl-N-methylmethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-N-methylmethanamine is sourced from PubChem (CID 65353623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).