N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide

C6H13N3 — CID 88995086

IUPACN'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
SMILESCC(=C/N(C)C)/N=C/N
InChIInChI=1S/C6H13N3/c1-6(8-5-7)4-9(2)3/h4-5H,1-3H3,(H2,7,8)/b6-4-
InChIKeyJBZSVLMXWGMZNP-XQRVVYSFSA-N
MW127.19 g/mol
LogP0.40
Rot. Bonds2

About N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide

N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide (PubChem CID 88995086) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
PubChem CID88995086
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
SMILESCC(=C/N(C)C)/N=C/N
InChIInChI=1S/C6H13N3/c1-6(8-5-7)4-9(2)3/h4-5H,1-3H3,(H2,7,8)/b6-4-
InChIKeyJBZSVLMXWGMZNP-XQRVVYSFSA-N
XLogP0.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide (CID 88995086) is N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide is CC(=C/N(C)C)/N=C/N.
What is the InChIKey of N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide?
The InChIKey is JBZSVLMXWGMZNP-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(8-5-7)4-9(2)3/h4-5H,1-3H3,(H2,7,8)/b6-4-.
What are the key properties of N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide?
N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 88995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).