N-methyl-N-prop-1-enylethanimidamide

C6H12N2 — CID 123961702

IUPACN-methyl-N-prop-1-enylethanimidamide
SMILES[H]/N=C(\C)N(C)C=CC
InChIInChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4?,7-6+
InChIKeyDNYMPDJLNNEOAP-VFABXPAXSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds1

About N-methyl-N-prop-1-enylethanimidamide

N-methyl-N-prop-1-enylethanimidamide (PubChem CID 123961702) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-N-prop-1-enylethanimidamide.

Molecular Properties

Compound NameN-methyl-N-prop-1-enylethanimidamide
PubChem CID123961702
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-N-prop-1-enylethanimidamide
SMILES[H]/N=C(\C)N(C)C=CC
InChIInChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4?,7-6+
InChIKeyDNYMPDJLNNEOAP-VFABXPAXSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methylpyridin-2(1H)-imine
CID 138111
N-methyl-N-prop-2-enylethanimidamide
CID 59020721
N-ethyl-N-prop-2-enylethanimidamide
CID 60085606
1-[(Z)-prop-1-enyl]pyrazin-2-imine
CID 88581658
(Z)-3-(dimethylamino)prop-2-enimidamide
CID 89016568
N-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
1-methyl-3H-pyrrol-2-imine
CID 100937012
N,N-dimethyl-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 117614807
N-[(Z)-prop-1-enyl]-N-propylmethanimidamide
CID 117805299
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
CID 122536879
1,2-Dimethylpyrimidin-4-imine
CID 123181535

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-1-enylethanimidamide?
The IUPAC name of N-methyl-N-prop-1-enylethanimidamide (CID 123961702) is N-methyl-N-prop-1-enylethanimidamide.
What is the SMILES notation for N-methyl-N-prop-1-enylethanimidamide?
The canonical SMILES for N-methyl-N-prop-1-enylethanimidamide is [H]/N=C(\C)N(C)C=CC.
What is the InChIKey of N-methyl-N-prop-1-enylethanimidamide?
The InChIKey is DNYMPDJLNNEOAP-VFABXPAXSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4?,7-6+.
What are the key properties of N-methyl-N-prop-1-enylethanimidamide?
N-methyl-N-prop-1-enylethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-1-enylethanimidamide is sourced from PubChem (CID 123961702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).