N-methylbut-3-en-1-amine

C5H11N — CID 12717520

IUPACN-methylbut-3-en-1-amine
SMILESC=CCCNC
InChIInChI=1S/C5H11N/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3
InChIKeyQKWULNOMHKBBLA-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.78
Rot. Bonds3

About N-methylbut-3-en-1-amine

N-methylbut-3-en-1-amine (PubChem CID 12717520) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methylbut-3-en-1-amine
PubChem CID12717520
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN-methylbut-3-en-1-amine
SMILESC=CCCNC
InChIInChI=1S/C5H11N/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3
InChIKeyQKWULNOMHKBBLA-UHFFFAOYSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylbut-3-en-1-amine?
The IUPAC name of N-methylbut-3-en-1-amine (CID 12717520) is N-methylbut-3-en-1-amine.
What is the SMILES notation for N-methylbut-3-en-1-amine?
The canonical SMILES for N-methylbut-3-en-1-amine is C=CCCNC.
What is the InChIKey of N-methylbut-3-en-1-amine?
The InChIKey is QKWULNOMHKBBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3.
What are the key properties of N-methylbut-3-en-1-amine?
N-methylbut-3-en-1-amine has a molecular weight of 85.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-3-en-1-amine is sourced from PubChem (CID 12717520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).