cyclobuten-1-ylmethanamine

C5H9N — CID 91306921

IUPACcyclobuten-1-ylmethanamine
SMILESNCC1=CCC1
InChIInChI=1S/C5H9N/c6-4-5-2-1-3-5/h2H,1,3-4,6H2
InChIKeyKDYCEANSZSUKAO-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.67
Rot. Bonds1

About cyclobuten-1-ylmethanamine

cyclobuten-1-ylmethanamine (PubChem CID 91306921) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is cyclobuten-1-ylmethanamine.

Molecular Properties

Compound Namecyclobuten-1-ylmethanamine
PubChem CID91306921
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namecyclobuten-1-ylmethanamine
SMILESNCC1=CCC1
InChIInChI=1S/C5H9N/c6-4-5-2-1-3-5/h2H,1,3-4,6H2
InChIKeyKDYCEANSZSUKAO-UHFFFAOYSA-N
XLogP0.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclobuten-1-ylmethanamine 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

Cyclohex-1-ene-1-methylamine
CID 118360
(Cyclopent-1-en-1-yl)methanamine
CID 12623599
N-di-ethylallylamine
CID 63969670
3-Ethylpent-3-en-1-amine
CID 56992944
2-Methylpent-2-en-1-amine
CID 59601793
(Z)-3-ethylpent-3-en-1-amine
CID 15705544
(Z)-2-ethylpent-2-en-1-amine
CID 22946722
(E)-3-ethylpent-3-en-1-amine
CID 55254752
(E)-4-methylhex-4-en-1-amine
CID 55285525
(Z)-2-methylpent-2-en-1-amine
CID 55289494
(E)-2-ethylbut-2-en-1-amine;yttrium
CID 59029524
(E)-2-ethylbut-2-en-1-amine
CID 59029525

Frequently Asked Questions

What is the IUPAC name of cyclobuten-1-ylmethanamine?
The IUPAC name of cyclobuten-1-ylmethanamine (CID 91306921) is cyclobuten-1-ylmethanamine.
What is the SMILES notation for cyclobuten-1-ylmethanamine?
The canonical SMILES for cyclobuten-1-ylmethanamine is NCC1=CCC1.
What is the InChIKey of cyclobuten-1-ylmethanamine?
The InChIKey is KDYCEANSZSUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c6-4-5-2-1-3-5/h2H,1,3-4,6H2.
What are the key properties of cyclobuten-1-ylmethanamine?
cyclobuten-1-ylmethanamine has a molecular weight of 83.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuten-1-ylmethanamine is sourced from PubChem (CID 91306921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).