(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine

C9H14N2 — CID 134415586

IUPAC(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
SMILES[H]/N=C/C(C)=C(N)/C=C\C(=C)C
InChIInChI=1S/C9H14N2/c1-7(2)4-5-9(11)8(3)6-10/h4-6,10H,1,11H2,2-3H3/b5-4-,9-8-,10-6+
InChIKeyFIKVPLIDGQXZIU-SWAHPALJSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds3

About (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine

(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 134415586) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
PubChem CID134415586
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
SMILES[H]/N=C/C(C)=C(N)/C=C\C(=C)C
InChIInChI=1S/C9H14N2/c1-7(2)4-5-9(11)8(3)6-10/h4-6,10H,1,11H2,2-3H3/b5-4-,9-8-,10-6+
InChIKeyFIKVPLIDGQXZIU-SWAHPALJSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine (CID 134415586) is (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine is [H]/N=C/C(C)=C(N)/C=C\C(=C)C.
What is the InChIKey of (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is FIKVPLIDGQXZIU-SWAHPALJSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)4-5-9(11)8(3)6-10/h4-6,10H,1,11H2,2-3H3/b5-4-,9-8-,10-6+.
What are the key properties of (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine?
(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 134415586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).