(2E)-1-imino-5-methylhexa-2,4-dien-2-amine

C7H12N2 — CID 134240069

IUPAC(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
SMILES[H]/N=C/C(N)=C\C=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)3-4-7(9)5-8/h3-5,8H,9H2,1-2H3/b7-4+,8-5+
InChIKeyVHDVYTKVRDLUEE-NSLJXJERSA-N
MW124.19 g/mol
LogP1.44
Rot. Bonds2

About (2E)-1-imino-5-methylhexa-2,4-dien-2-amine

(2E)-1-imino-5-methylhexa-2,4-dien-2-amine (PubChem CID 134240069) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2E)-1-imino-5-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
PubChem CID134240069
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
SMILES[H]/N=C/C(N)=C\C=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)3-4-7(9)5-8/h3-5,8H,9H2,1-2H3/b7-4+,8-5+
InChIKeyVHDVYTKVRDLUEE-NSLJXJERSA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.44
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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Related Compounds

(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
3-methanimidoylpent-2-en-2-amine
CID 173477121
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
CID 142449520
acetamide;ethanimine;molecular hydrogen
CID 142839572
4-amino-5-methanimidoyl-7-methyloct-4-ene-2,6-dione
CID 173498344
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
(2Z,4E)-5-amino-6-imino-2-methyl-3-(trifluoromethyl)hexa-2,4-dienenitrile
CID 167107130
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
CID 153382620
acetic acid;(13C)methanimidamide
CID 71309360
methanimine;2-methylprop-2-en-1-imine
CID 145055297

Frequently Asked Questions

What is the IUPAC name of (2E)-1-imino-5-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E)-1-imino-5-methylhexa-2,4-dien-2-amine (CID 134240069) is (2E)-1-imino-5-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E)-1-imino-5-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E)-1-imino-5-methylhexa-2,4-dien-2-amine is [H]/N=C/C(N)=C\C=C(C)C.
What is the InChIKey of (2E)-1-imino-5-methylhexa-2,4-dien-2-amine?
The InChIKey is VHDVYTKVRDLUEE-NSLJXJERSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)3-4-7(9)5-8/h3-5,8H,9H2,1-2H3/b7-4+,8-5+.
What are the key properties of (2E)-1-imino-5-methylhexa-2,4-dien-2-amine?
(2E)-1-imino-5-methylhexa-2,4-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-imino-5-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 134240069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).