(E)-hex-3-en-2-amine;hydrochloride

C6H14ClN — CID 55289622

IUPAC(E)-hex-3-en-2-amine;hydrochloride
SMILESCC/C=C/C(C)N.Cl
InChIInChI=1S/C6H13N.ClH/c1-3-4-5-6(2)7;/h4-6H,3,7H2,1-2H3;1H/b5-4+;
InChIKeyURRCCSCOHTUGNY-FXRZFVDSSA-N
MW135.64 g/mol
LogP1.72
Rot. Bonds2

About (E)-hex-3-en-2-amine;hydrochloride

(E)-hex-3-en-2-amine;hydrochloride (PubChem CID 55289622) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is (E)-hex-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(E)-hex-3-en-2-amine;hydrochloride
PubChem CID55289622
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name(E)-hex-3-en-2-amine;hydrochloride
SMILESCC/C=C/C(C)N.Cl
InChIInChI=1S/C6H13N.ClH/c1-3-4-5-6(2)7;/h4-6H,3,7H2,1-2H3;1H/b5-4+;
InChIKeyURRCCSCOHTUGNY-FXRZFVDSSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.72
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

(E)-2-bromohex-3-ene
CID 15881334
(Z)-5-methylhept-3-ene
CID 5364727
hex-3-ene;hydrochloride
CID 159012047
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
(Z)-2-methylhex-3-en-1-ol
CID 15174591
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
2-methylhept-4-en-3-ol
CID 54499499
hept-4-ene-2,3-diol
CID 54484674
3-methylhept-4-en-2-ol
CID 90779417
5-hept-4-en-3-yloxyhept-3-ene
CID 173176301
3-methylhept-4-en-1-yne
CID 123666913
5-ethyl-6-methyloct-3-ene
CID 90715471

Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-en-2-amine;hydrochloride?
The IUPAC name of (E)-hex-3-en-2-amine;hydrochloride (CID 55289622) is (E)-hex-3-en-2-amine;hydrochloride.
What is the SMILES notation for (E)-hex-3-en-2-amine;hydrochloride?
The canonical SMILES for (E)-hex-3-en-2-amine;hydrochloride is CC/C=C/C(C)N.Cl.
What is the InChIKey of (E)-hex-3-en-2-amine;hydrochloride?
The InChIKey is URRCCSCOHTUGNY-FXRZFVDSSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-3-4-5-6(2)7;/h4-6H,3,7H2,1-2H3;1H/b5-4+;.
What are the key properties of (E)-hex-3-en-2-amine;hydrochloride?
(E)-hex-3-en-2-amine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-en-2-amine;hydrochloride is sourced from PubChem (CID 55289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).