(Z)-4-imino-N,N-dimethylbut-2-en-1-amine

C6H12N2 — CID 163858390

IUPAC(Z)-4-imino-N,N-dimethylbut-2-en-1-amine
SMILES[H]/N=C/C=C\CN(C)C
InChIInChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-5,7H,6H2,1-2H3/b4-3-,7-5+
InChIKeyPAJCLHJRBUYHQS-QVXLNCAUSA-N
MW112.18 g/mol
LogP0.75
Rot. Bonds3

About (Z)-4-imino-N,N-dimethylbut-2-en-1-amine

(Z)-4-imino-N,N-dimethylbut-2-en-1-amine (PubChem CID 163858390) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-4-imino-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-imino-N,N-dimethylbut-2-en-1-amine
PubChem CID163858390
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-4-imino-N,N-dimethylbut-2-en-1-amine
SMILES[H]/N=C/C=C\CN(C)C
InChIInChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-5,7H,6H2,1-2H3/b4-3-,7-5+
InChIKeyPAJCLHJRBUYHQS-QVXLNCAUSA-N
XLogP0.75
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mefcfysnjkhelm-snawjcmrsa-
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(E)-3-imino-N,N-dimethylprop-1-en-1-amine
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3-imino-N,N-dimethylprop-1-en-1-amine
CID 54469398
But-2-enylidene(dimethyl)azanium
CID 73181565
[(Z)-but-2-enylidene]-ethyl-methylazanium
CID 89324383
ethane;1-methyl-2H-pyrrol-1-ium
CID 91604972
N'-methylbut-2-ene-1,4-diimine
CID 123167679
But-2-enyl-ethylidene-methylazanium
CID 123210882
But-2-enylidene-ethyl-methylazanium
CID 123704116
5-imino-N,N-dimethylpenta-1,3-dien-2-amine
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2-Iminoethyl(prop-2-enyl)azanide
CID 140780312

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (Z)-4-imino-N,N-dimethylbut-2-en-1-amine (CID 163858390) is (Z)-4-imino-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-imino-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-imino-N,N-dimethylbut-2-en-1-amine is [H]/N=C/C=C\CN(C)C.
What is the InChIKey of (Z)-4-imino-N,N-dimethylbut-2-en-1-amine?
The InChIKey is PAJCLHJRBUYHQS-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-5,7H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (Z)-4-imino-N,N-dimethylbut-2-en-1-amine?
(Z)-4-imino-N,N-dimethylbut-2-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 163858390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).