(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine

C7H12N2 — CID 138510815

IUPAC(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
SMILES[H]/N=C/C(NC)=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(2)7(5-8)9-3/h4-5,8-9H,1H2,2-3H3/b7-6+,8-5+
InChIKeyLFOVVGVDAKZCEY-ZCOYIIAOSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine

(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine (PubChem CID 138510815) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
PubChem CID138510815
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
SMILES[H]/N=C/C(NC)=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(2)7(5-8)9-3/h4-5,8-9H,1H2,2-3H3/b7-6+,8-5+
InChIKeyLFOVVGVDAKZCEY-ZCOYIIAOSA-N
XLogP1.32
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
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

(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
CID 153382620
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
3,4-dimethylpenta-1,3-diene
CID 6713443
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090
(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
CID 156548781
(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine
CID 146288674
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
CID 170231380

Frequently Asked Questions

What is the IUPAC name of (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine (CID 138510815) is (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine is [H]/N=C/C(NC)=C(/C)C=C.
What is the InChIKey of (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine?
The InChIKey is LFOVVGVDAKZCEY-ZCOYIIAOSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(2)7(5-8)9-3/h4-5,8-9H,1H2,2-3H3/b7-6+,8-5+.
What are the key properties of (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine?
(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 138510815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).