(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine

C7H13N3 — CID 58845207

IUPAC(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILES[H]/N=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C7H13N3/c1-9-5-4-7(6-8)10(2)3/h4-6,8H,1-3H3/b7-4+,8-6+,9-5+
InChIKeySLOXUOLCQPXUPB-WXYQZPBCSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds3

About (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine

(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 58845207) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID58845207
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILES[H]/N=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C7H13N3/c1-9-5-4-7(6-8)10(2)3/h4-6,8H,1-3H3/b7-4+,8-6+,9-5+
InChIKeySLOXUOLCQPXUPB-WXYQZPBCSA-N
XLogP0.78
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine (CID 58845207) is (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine is [H]/N=C/C(=C\C=N\C)N(C)C.
What is the InChIKey of (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is SLOXUOLCQPXUPB-WXYQZPBCSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-5-4-7(6-8)10(2)3/h4-6,8H,1-3H3/b7-4+,8-6+,9-5+.
What are the key properties of (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 58845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).