(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine

C7H14N2 — CID 129268517

IUPAC(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C(C)=C(\C)NC
InChIInChI=1S/C7H14N2/c1-6(5-8-3)7(2)9-4/h5,9H,1-4H3/b7-6+,8-5+
InChIKeyYKUVLNVZUBKLPE-ZCOYIIAOSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds2

About (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine

(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 129268517) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID129268517
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C(C)=C(\C)NC
InChIInChI=1S/C7H14N2/c1-6(5-8-3)7(2)9-4/h5,9H,1-4H3/b7-6+,8-5+
InChIKeyYKUVLNVZUBKLPE-ZCOYIIAOSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
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)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine (CID 129268517) is (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine is C/N=C/C(C)=C(\C)NC.
What is the InChIKey of (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is YKUVLNVZUBKLPE-ZCOYIIAOSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(5-8-3)7(2)9-4/h5,9H,1-4H3/b7-6+,8-5+.
What are the key properties of (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
(E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 129268517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).