1-cyclobutylbut-3-en-2-amine

C8H15N — CID 103168976

IUPAC1-cyclobutylbut-3-en-2-amine
SMILESC=CC(N)CC1CCC1
InChIInChI=1S/C8H15N/c1-2-8(9)6-7-4-3-5-7/h2,7-8H,1,3-6,9H2
InChIKeySOMXVVUJUBZAQA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds3

About 1-cyclobutylbut-3-en-2-amine

1-cyclobutylbut-3-en-2-amine (PubChem CID 103168976) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-cyclobutylbut-3-en-2-amine.

Molecular Properties

Compound Name1-cyclobutylbut-3-en-2-amine
PubChem CID103168976
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-cyclobutylbut-3-en-2-amine
SMILESC=CC(N)CC1CCC1
InChIInChI=1S/C8H15N/c1-2-8(9)6-7-4-3-5-7/h2,7-8H,1,3-6,9H2
InChIKeySOMXVVUJUBZAQA-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
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-cyclobutylbut-3-en-2-amine?
The IUPAC name of 1-cyclobutylbut-3-en-2-amine (CID 103168976) is 1-cyclobutylbut-3-en-2-amine.
What is the SMILES notation for 1-cyclobutylbut-3-en-2-amine?
The canonical SMILES for 1-cyclobutylbut-3-en-2-amine is C=CC(N)CC1CCC1.
What is the InChIKey of 1-cyclobutylbut-3-en-2-amine?
The InChIKey is SOMXVVUJUBZAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-8(9)6-7-4-3-5-7/h2,7-8H,1,3-6,9H2.
What are the key properties of 1-cyclobutylbut-3-en-2-amine?
1-cyclobutylbut-3-en-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylbut-3-en-2-amine is sourced from PubChem (CID 103168976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).