N-methylbut-3-en-2-amine

C5H11N — CID 14171936

IUPACN-methylbut-3-en-2-amine
SMILESC=CC(C)NC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h4-6H,1H2,2-3H3
InChIKeyPMGNVDPARHYFIN-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.78
Rot. Bonds2

About N-methylbut-3-en-2-amine

N-methylbut-3-en-2-amine (PubChem CID 14171936) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N-methylbut-3-en-2-amine.

Molecular Properties

Compound NameN-methylbut-3-en-2-amine
PubChem CID14171936
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN-methylbut-3-en-2-amine
SMILESC=CC(C)NC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h4-6H,1H2,2-3H3
InChIKeyPMGNVDPARHYFIN-UHFFFAOYSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylbut-3-en-2-amine?
The IUPAC name of N-methylbut-3-en-2-amine (CID 14171936) is N-methylbut-3-en-2-amine.
What is the SMILES notation for N-methylbut-3-en-2-amine?
The canonical SMILES for N-methylbut-3-en-2-amine is C=CC(C)NC.
What is the InChIKey of N-methylbut-3-en-2-amine?
The InChIKey is PMGNVDPARHYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2)6-3/h4-6H,1H2,2-3H3.
What are the key properties of N-methylbut-3-en-2-amine?
N-methylbut-3-en-2-amine has a molecular weight of 85.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-3-en-2-amine is sourced from PubChem (CID 14171936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).