pent-4-en-2-amine;hydrochloride

C5H12ClN — CID 18185429

IUPACpent-4-en-2-amine;hydrochloride
SMILESC=CCC(C)N.Cl
InChIInChI=1S/C5H11N.ClH/c1-3-4-5(2)6;/h3,5H,1,4,6H2,2H3;1H
InChIKeyPBKZSPFYOORUPB-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.33
Rot. Bonds2

About pent-4-en-2-amine;hydrochloride

pent-4-en-2-amine;hydrochloride (PubChem CID 18185429) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is pent-4-en-2-amine;hydrochloride.

Molecular Properties

Compound Namepent-4-en-2-amine;hydrochloride
PubChem CID18185429
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Namepent-4-en-2-amine;hydrochloride
SMILESC=CCC(C)N.Cl
InChIInChI=1S/C5H11N.ClH/c1-3-4-5(2)6;/h3,5H,1,4,6H2,2H3;1H
InChIKeyPBKZSPFYOORUPB-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.33
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;hydrochloride?
The IUPAC name of pent-4-en-2-amine;hydrochloride (CID 18185429) is pent-4-en-2-amine;hydrochloride.
What is the SMILES notation for pent-4-en-2-amine;hydrochloride?
The canonical SMILES for pent-4-en-2-amine;hydrochloride is C=CCC(C)N.Cl.
What is the InChIKey of pent-4-en-2-amine;hydrochloride?
The InChIKey is PBKZSPFYOORUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-3-4-5(2)6;/h3,5H,1,4,6H2,2H3;1H.
What are the key properties of pent-4-en-2-amine;hydrochloride?
pent-4-en-2-amine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.33, 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;hydrochloride is sourced from PubChem (CID 18185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).