(2Z,4E)-4-methylocta-2,4-dien-1-amine

C9H17N — CID 55285493

IUPAC(2Z,4E)-4-methylocta-2,4-dien-1-amine
SMILESCCC/C=C(C)/C=C\CN
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h5-7H,3-4,8,10H2,1-2H3/b7-5-,9-6+
InChIKeyDNQLTHRYSBDXMW-XCZNYUDNSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds4

About (2Z,4E)-4-methylocta-2,4-dien-1-amine

(2Z,4E)-4-methylocta-2,4-dien-1-amine (PubChem CID 55285493) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,4E)-4-methylocta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-methylocta-2,4-dien-1-amine
PubChem CID55285493
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,4E)-4-methylocta-2,4-dien-1-amine
SMILESCCC/C=C(C)/C=C\CN
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h5-7H,3-4,8,10H2,1-2H3/b7-5-,9-6+
InChIKeyDNQLTHRYSBDXMW-XCZNYUDNSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-methylocta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-4-methylocta-2,4-dien-1-amine (CID 55285493) is (2Z,4E)-4-methylocta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-4-methylocta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-4-methylocta-2,4-dien-1-amine is CCC/C=C(C)/C=C\CN.
What is the InChIKey of (2Z,4E)-4-methylocta-2,4-dien-1-amine?
The InChIKey is DNQLTHRYSBDXMW-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h5-7H,3-4,8,10H2,1-2H3/b7-5-,9-6+.
What are the key properties of (2Z,4E)-4-methylocta-2,4-dien-1-amine?
(2Z,4E)-4-methylocta-2,4-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methylocta-2,4-dien-1-amine is sourced from PubChem (CID 55285493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).