(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine

C9H18N2 — CID 144734740

IUPAC(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine
SMILESCC/C=C(\C=C/CN)N(C)C
InChIInChI=1S/C9H18N2/c1-4-6-9(11(2)3)7-5-8-10/h5-7H,4,8,10H2,1-3H3/b7-5-,9-6+
InChIKeyXUQPEEQJUAYMDW-XCZNYUDNSA-N
MW154.26 g/mol
LogP1.36
Rot. Bonds4

About (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine

(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine (PubChem CID 144734740) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine
PubChem CID144734740
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine
SMILESCC/C=C(\C=C/CN)N(C)C
InChIInChI=1S/C9H18N2/c1-4-6-9(11(2)3)7-5-8-10/h5-7H,4,8,10H2,1-3H3/b7-5-,9-6+
InChIKeyXUQPEEQJUAYMDW-XCZNYUDNSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N,4-N-dimethylhepta-2,4-diene-1,4-diamine?
The IUPAC name of (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine (CID 144734740) is (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine.
What is the SMILES notation for (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine?
The canonical SMILES for (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine is CC/C=C(\C=C/CN)N(C)C.
What is the InChIKey of (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine?
The InChIKey is XUQPEEQJUAYMDW-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9(11(2)3)7-5-8-10/h5-7H,4,8,10H2,1-3H3/b7-5-,9-6+.
What are the key properties of (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine?
(2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-N,4-N-dimethylhepta-2,4-diene-1,4-diamine is sourced from PubChem (CID 144734740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).