(E)-N-ethenylhex-1-en-1-amine

C8H15N — CID 14455019

IUPAC(E)-N-ethenylhex-1-en-1-amine
SMILESC=CN/C=C/CCCC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-9H,2-3,5-6H2,1H3/b8-7+
InChIKeyFSPXTFKYPGEDQD-BQYQJAHWSA-N
MW125.21 g/mol
LogP2.42
Rot. Bonds5

About (E)-N-ethenylhex-1-en-1-amine

(E)-N-ethenylhex-1-en-1-amine (PubChem CID 14455019) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-N-ethenylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethenylhex-1-en-1-amine
PubChem CID14455019
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-N-ethenylhex-1-en-1-amine
SMILESC=CN/C=C/CCCC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-9H,2-3,5-6H2,1H3/b8-7+
InChIKeyFSPXTFKYPGEDQD-BQYQJAHWSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenylhex-1-en-1-amine?
The IUPAC name of (E)-N-ethenylhex-1-en-1-amine (CID 14455019) is (E)-N-ethenylhex-1-en-1-amine.
What is the SMILES notation for (E)-N-ethenylhex-1-en-1-amine?
The canonical SMILES for (E)-N-ethenylhex-1-en-1-amine is C=CN/C=C/CCCC.
What is the InChIKey of (E)-N-ethenylhex-1-en-1-amine?
The InChIKey is FSPXTFKYPGEDQD-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-9H,2-3,5-6H2,1H3/b8-7+.
What are the key properties of (E)-N-ethenylhex-1-en-1-amine?
(E)-N-ethenylhex-1-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenylhex-1-en-1-amine is sourced from PubChem (CID 14455019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).