N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide

C13H19N3 — CID 134387789

IUPACN',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide
SMILESC/N=C(\N=C(/C)CNC)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-10-5-7-12(8-6-10)13(15-4)16-11(2)9-14-3/h5-8,14H,9H2,1-4H3/b15-13-,16-11+
InChIKeyBOVNFMOLXKRKJN-XLUHITTHSA-N
MW217.32 g/mol
LogP2.05
Rot. Bonds3

About N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide

N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide (PubChem CID 134387789) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide
PubChem CID134387789
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide
SMILESC/N=C(\N=C(/C)CNC)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-10-5-7-12(8-6-10)13(15-4)16-11(2)9-14-3/h5-8,14H,9H2,1-4H3/b15-13-,16-11+
InChIKeyBOVNFMOLXKRKJN-XLUHITTHSA-N
XLogP2.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.05
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'}

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Related Compounds

2-imino-N-methyl-2-(4-methylphenyl)ethanamine
CID 142977852
N-amino-N',4-dimethylbenzenecarboximidamide
CID 61360444
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
N-di(propan-2-yl)phosphanyl-N',4-dimethylbenzenecarboximidamide
CID 67297899
N-methylmethanamine;1,4-xylene
CID 66760370
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide
CID 143932389
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
CID 171323405
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
1-(4-methylphenyl)ethenyl N-methylethanimidothioate
CID 90743925
(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile
CID 145041542
(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
CID 11022385

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide?
The IUPAC name of N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide (CID 134387789) is N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide?
The canonical SMILES for N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide is C/N=C(\N=C(/C)CNC)c1ccc(C)cc1.
What is the InChIKey of N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide?
The InChIKey is BOVNFMOLXKRKJN-XLUHITTHSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-5-7-12(8-6-10)13(15-4)16-11(2)9-14-3/h5-8,14H,9H2,1-4H3/b15-13-,16-11+.
What are the key properties of N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide?
N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide is sourced from PubChem (CID 134387789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).