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

C6H13N — CID 55289623

IUPAC(E)-hex-3-en-2-amine
SMILESCC/C=C/C(C)N
InChIInChI=1S/C6H13N/c1-3-4-5-6(2)7/h4-6H,3,7H2,1-2H3/b5-4+
InChIKeyQEFIPPNXFHQYRO-SNAWJCMRSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds2

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

(E)-hex-3-en-2-amine (PubChem CID 55289623) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-hex-3-en-2-amine.

Molecular Properties

Compound Name(E)-hex-3-en-2-amine
PubChem CID55289623
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-hex-3-en-2-amine
SMILESCC/C=C/C(C)N
InChIInChI=1S/C6H13N/c1-3-4-5-6(2)7/h4-6H,3,7H2,1-2H3/b5-4+
InChIKeyQEFIPPNXFHQYRO-SNAWJCMRSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.30
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

CID 6439606
CID 6439606
CID 101066
CID 101066
CID 5466587
CID 5466587
CID 15584178
CID 15584178
CID 13532837
CID 13532837
CID 18185425
CID 18185425
CID 21082342
CID 21082342
CID 54593494
CID 54593494
CID 121552531
CID 121552531
CID 2756396
CID 2756396
CID 7003739
CID 7003739
CID 10492355
CID 10492355

Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-en-2-amine?
The IUPAC name of (E)-hex-3-en-2-amine (CID 55289623) is (E)-hex-3-en-2-amine.
What is the SMILES notation for (E)-hex-3-en-2-amine?
The canonical SMILES for (E)-hex-3-en-2-amine is CC/C=C/C(C)N.
What is the InChIKey of (E)-hex-3-en-2-amine?
The InChIKey is QEFIPPNXFHQYRO-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13N/c1-3-4-5-6(2)7/h4-6H,3,7H2,1-2H3/b5-4+.
What are the key properties of (E)-hex-3-en-2-amine?
(E)-hex-3-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 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 is sourced from PubChem (CID 55289623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).