(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine

C12H20N2 — CID 134485442

IUPAC(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine
SMILESC/C=C\C=N\C(C)=C\C(NC)=C(C)C
InChIInChI=1S/C12H20N2/c1-6-7-8-14-11(4)9-12(13-5)10(2)3/h6-9,13H,1-5H3/b7-6-,11-9+,14-8+
InChIKeyYMDLILARKBBVDU-PVRZDCSNSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds4

About (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine

(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine (PubChem CID 134485442) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine
PubChem CID134485442
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine
SMILESC/C=C\C=N\C(C)=C\C(NC)=C(C)C
InChIInChI=1S/C12H20N2/c1-6-7-8-14-11(4)9-12(13-5)10(2)3/h6-9,13H,1-5H3/b7-6-,11-9+,14-8+
InChIKeyYMDLILARKBBVDU-PVRZDCSNSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine?
The IUPAC name of (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine (CID 134485442) is (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine.
What is the SMILES notation for (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine?
The canonical SMILES for (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine is C/C=C\C=N\C(C)=C\C(NC)=C(C)C.
What is the InChIKey of (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine?
The InChIKey is YMDLILARKBBVDU-PVRZDCSNSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-8-14-11(4)9-12(13-5)10(2)3/h6-9,13H,1-5H3/b7-6-,11-9+,14-8+.
What are the key properties of (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine?
(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine has a molecular weight of 192.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine is sourced from PubChem (CID 134485442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).