N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide

C6H12N2 — CID 24976956

IUPACN,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)C
InChIInChI=1S/C6H12N2/c1-4-5-7-6-8(2)3/h4-6H,1-3H3/b5-4+,7-6+
InChIKeyOYTANHPGDADIBS-YTXTXJHMSA-N
MW112.18 g/mol
LogP1.11
Rot. Bonds2

About N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide

N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide (PubChem CID 24976956) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide
PubChem CID24976956
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)C
InChIInChI=1S/C6H12N2/c1-4-5-7-6-8(2)3/h4-6H,1-3H3/b5-4+,7-6+
InChIKeyOYTANHPGDADIBS-YTXTXJHMSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide (CID 24976956) is N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide is C/C=C/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is OYTANHPGDADIBS-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-7-6-8(2)3/h4-6H,1-3H3/b5-4+,7-6+.
What are the key properties of N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide?
N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 24976956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).