(E)-pent-3-en-1-amine;hydrochloride

C5H12ClN — CID 54593494

IUPAC(E)-pent-3-en-1-amine;hydrochloride
SMILESC/C=C/CCN.Cl
InChIInChI=1S/C5H11N.ClH/c1-2-3-4-5-6;/h2-3H,4-6H2,1H3;1H/b3-2+;
InChIKeyJKIHNQMXIWMLLE-SQQVDAMQSA-N
MW121.61 g/mol
LogP1.33
Rot. Bonds2

About (E)-pent-3-en-1-amine;hydrochloride

(E)-pent-3-en-1-amine;hydrochloride (PubChem CID 54593494) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is (E)-pent-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-pent-3-en-1-amine;hydrochloride
PubChem CID54593494
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name(E)-pent-3-en-1-amine;hydrochloride
SMILESC/C=C/CCN.Cl
InChIInChI=1S/C5H11N.ClH/c1-2-3-4-5-6;/h2-3H,4-6H2,1H3;1H/b3-2+;
InChIKeyJKIHNQMXIWMLLE-SQQVDAMQSA-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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Related Compounds

4-Methylpent-3-en-1-amine
CID 533848
(4E)-4-Hexen-1-amine
CID 5466587
But-3-en-1-amine hydrochloride
CID 12363007
(2E)-pent-2-en-1-amine hydrochloride
CID 121552531
2-Hexenylamine
CID 10492355
Pent-3-enylamine
CID 5466580
(3E)-hexa-3,5-dien-1-amine hydrochloride
CID 13658895
Hept-3-en-1-amine hydrochloride
CID 155822393
1-Amino-pent-3-ene
CID 533840
(E)-oct-3-en-1-amine
CID 10749532
But-3-enylazanium;chloride
CID 11217238
(E)-hex-3-ene-1,6-diamine
CID 19017964

Frequently Asked Questions

What is the IUPAC name of (E)-pent-3-en-1-amine;hydrochloride?
The IUPAC name of (E)-pent-3-en-1-amine;hydrochloride (CID 54593494) is (E)-pent-3-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-pent-3-en-1-amine;hydrochloride?
The canonical SMILES for (E)-pent-3-en-1-amine;hydrochloride is C/C=C/CCN.Cl.
What is the InChIKey of (E)-pent-3-en-1-amine;hydrochloride?
The InChIKey is JKIHNQMXIWMLLE-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-2-3-4-5-6;/h2-3H,4-6H2,1H3;1H/b3-2+;.
What are the key properties of (E)-pent-3-en-1-amine;hydrochloride?
(E)-pent-3-en-1-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 (E)-pent-3-en-1-amine;hydrochloride is sourced from PubChem (CID 54593494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).