pent-4-en-2-amine

C5H11N — CID 6713451

IUPACpent-4-en-2-amine
SMILESC=CCC(C)N
InChIInChI=1S/C5H11N/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3
InChIKeyBPIDLOWRIYHHBQ-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.91
Rot. Bonds2

About pent-4-en-2-amine

pent-4-en-2-amine (PubChem CID 6713451) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is pent-4-en-2-amine.

Molecular Properties

Compound Namepent-4-en-2-amine
PubChem CID6713451
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Namepent-4-en-2-amine
SMILESC=CCC(C)N
InChIInChI=1S/C5H11N/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3
InChIKeyBPIDLOWRIYHHBQ-UHFFFAOYSA-N
XLogP0.91
TPSA26.02 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 ≤ 50.91
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 pent-4-en-2-amine?
The IUPAC name of pent-4-en-2-amine (CID 6713451) is pent-4-en-2-amine.
What is the SMILES notation for pent-4-en-2-amine?
The canonical SMILES for pent-4-en-2-amine is C=CCC(C)N.
What is the InChIKey of pent-4-en-2-amine?
The InChIKey is BPIDLOWRIYHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3.
What are the key properties of pent-4-en-2-amine?
pent-4-en-2-amine has a molecular weight of 85.15 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-2-amine is sourced from PubChem (CID 6713451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).