hex-2-en-1-amine

C6H13N — CID 53415109

IUPAChex-2-en-1-amine
SMILESCCCC=CCN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h4-5H,2-3,6-7H2,1H3
InChIKeyJMPKRWPMDAFCGM-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds3

About hex-2-en-1-amine

hex-2-en-1-amine (PubChem CID 53415109) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is hex-2-en-1-amine.

Molecular Properties

Compound Namehex-2-en-1-amine
PubChem CID53415109
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Namehex-2-en-1-amine
SMILESCCCC=CCN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h4-5H,2-3,6-7H2,1H3
InChIKeyJMPKRWPMDAFCGM-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of hex-2-en-1-amine?
The IUPAC name of hex-2-en-1-amine (CID 53415109) is hex-2-en-1-amine.
What is the SMILES notation for hex-2-en-1-amine?
The canonical SMILES for hex-2-en-1-amine is CCCC=CCN.
What is the InChIKey of hex-2-en-1-amine?
The InChIKey is JMPKRWPMDAFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-2-3-4-5-6-7/h4-5H,2-3,6-7H2,1H3.
What are the key properties of hex-2-en-1-amine?
hex-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-en-1-amine is sourced from PubChem (CID 53415109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).