N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide

C8H18N4 — CID 118972963

IUPACN-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(=C\CNC)N(C)C
InChIInChI=1S/C8H18N4/c1-9-6-5-8(12(3)4)11-7-10-2/h5,7,9H,6H2,1-4H3,(H,10,11)/b8-5+
InChIKeyFVKCFGKWAXKYGO-VMPITWQZSA-N
MW170.26 g/mol
LogP-0.14
Rot. Bonds5

About N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide

N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide (PubChem CID 118972963) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
PubChem CID118972963
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(=C\CNC)N(C)C
InChIInChI=1S/C8H18N4/c1-9-6-5-8(12(3)4)11-7-10-2/h5,7,9H,6H2,1-4H3,(H,10,11)/b8-5+
InChIKeyFVKCFGKWAXKYGO-VMPITWQZSA-N
XLogP-0.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide (CID 118972963) is N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide is C/N=C/N/C(=C\CNC)N(C)C.
What is the InChIKey of N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide?
The InChIKey is FVKCFGKWAXKYGO-VMPITWQZSA-N. The full InChI is InChI=1S/C8H18N4/c1-9-6-5-8(12(3)4)11-7-10-2/h5,7,9H,6H2,1-4H3,(H,10,11)/b8-5+.
What are the key properties of N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide?
N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide has a molecular weight of 170.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide is sourced from PubChem (CID 118972963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).