(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine

C9H17N3 — CID 134567655

IUPAC(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine
SMILES[H]/N=C/CC(=N\C)/C(C)=C(\C)NC
InChIInChI=1S/C9H17N3/c1-7(8(2)11-3)9(12-4)5-6-10/h6,10-11H,5H2,1-4H3/b8-7+,10-6+,12-9+
InChIKeyGVXWQBSPLYSLLJ-PYBVRGJCSA-N
MW167.26 g/mol
LogP1.61
Rot. Bonds4

About (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine

(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine (PubChem CID 134567655) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine.

Molecular Properties

Compound Name(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine
PubChem CID134567655
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine
SMILES[H]/N=C/CC(=N\C)/C(C)=C(\C)NC
InChIInChI=1S/C9H17N3/c1-7(8(2)11-3)9(12-4)5-6-10/h6,10-11H,5H2,1-4H3/b8-7+,10-6+,12-9+
InChIKeyGVXWQBSPLYSLLJ-PYBVRGJCSA-N
XLogP1.61
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
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)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine?
The IUPAC name of (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine (CID 134567655) is (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine.
What is the SMILES notation for (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine?
The canonical SMILES for (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine is [H]/N=C/CC(=N\C)/C(C)=C(\C)NC.
What is the InChIKey of (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine?
The InChIKey is GVXWQBSPLYSLLJ-PYBVRGJCSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(8(2)11-3)9(12-4)5-6-10/h6,10-11H,5H2,1-4H3/b8-7+,10-6+,12-9+.
What are the key properties of (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine?
(E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-imino-N,3-dimethyl-4-methyliminohex-2-en-2-amine is sourced from PubChem (CID 134567655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).