(1E,4E)-5-methylocta-1,4-dien-1-amine

C9H17N — CID 163644960

IUPAC(1E,4E)-5-methylocta-1,4-dien-1-amine
SMILESCCC/C(C)=C/C/C=C/N
InChIInChI=1S/C9H17N/c1-3-6-9(2)7-4-5-8-10/h5,7-8H,3-4,6,10H2,1-2H3/b8-5+,9-7+
InChIKeyIHLNVPCLXAZXCU-OCIXRKKMSA-N
MW139.24 g/mol
LogP2.60
Rot. Bonds4

About (1E,4E)-5-methylocta-1,4-dien-1-amine

(1E,4E)-5-methylocta-1,4-dien-1-amine (PubChem CID 163644960) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1E,4E)-5-methylocta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4E)-5-methylocta-1,4-dien-1-amine
PubChem CID163644960
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1E,4E)-5-methylocta-1,4-dien-1-amine
SMILESCCC/C(C)=C/C/C=C/N
InChIInChI=1S/C9H17N/c1-3-6-9(2)7-4-5-8-10/h5,7-8H,3-4,6,10H2,1-2H3/b8-5+,9-7+
InChIKeyIHLNVPCLXAZXCU-OCIXRKKMSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.60
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 (1E,4E)-5-methylocta-1,4-dien-1-amine?
The IUPAC name of (1E,4E)-5-methylocta-1,4-dien-1-amine (CID 163644960) is (1E,4E)-5-methylocta-1,4-dien-1-amine.
What is the SMILES notation for (1E,4E)-5-methylocta-1,4-dien-1-amine?
The canonical SMILES for (1E,4E)-5-methylocta-1,4-dien-1-amine is CCC/C(C)=C/C/C=C/N.
What is the InChIKey of (1E,4E)-5-methylocta-1,4-dien-1-amine?
The InChIKey is IHLNVPCLXAZXCU-OCIXRKKMSA-N. The full InChI is InChI=1S/C9H17N/c1-3-6-9(2)7-4-5-8-10/h5,7-8H,3-4,6,10H2,1-2H3/b8-5+,9-7+.
What are the key properties of (1E,4E)-5-methylocta-1,4-dien-1-amine?
(1E,4E)-5-methylocta-1,4-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-5-methylocta-1,4-dien-1-amine is sourced from PubChem (CID 163644960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).