(E)-3-methyl-4-methyliminobut-2-en-2-amine

C6H12N2 — CID 167081339

IUPAC(E)-3-methyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C(C)=C(\C)N
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4H,7H2,1-3H3/b6-5+,8-4+
InChIKeyMOZMKRRFKYHBCV-PTFSRLPTSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds1

About (E)-3-methyl-4-methyliminobut-2-en-2-amine

(E)-3-methyl-4-methyliminobut-2-en-2-amine (PubChem CID 167081339) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (E)-3-methyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-methyliminobut-2-en-2-amine
PubChem CID167081339
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(E)-3-methyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C(C)=C(\C)N
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4H,7H2,1-3H3/b6-5+,8-4+
InChIKeyMOZMKRRFKYHBCV-PTFSRLPTSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-methyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (E)-3-methyl-4-methyliminobut-2-en-2-amine (CID 167081339) is (E)-3-methyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-methyliminobut-2-en-2-amine is C/N=C/C(C)=C(\C)N.
What is the InChIKey of (E)-3-methyl-4-methyliminobut-2-en-2-amine?
The InChIKey is MOZMKRRFKYHBCV-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4H,7H2,1-3H3/b6-5+,8-4+.
What are the key properties of (E)-3-methyl-4-methyliminobut-2-en-2-amine?
(E)-3-methyl-4-methyliminobut-2-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 167081339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).