N'-benzyl-N,N-dimethylpropanimidamide

C12H18N2 — CID 525836

IUPACN'-benzyl-N,N-dimethylpropanimidamide
SMILESCC/C(=N\Cc1ccccc1)N(C)C
InChIInChI=1S/C12H18N2/c1-4-12(14(2)3)13-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/b13-12+
InChIKeyGTOOPRWBIUWQHJ-OUKQBFOZSA-N
MW190.29 g/mol
LogP2.56
Rot. Bonds3

About N'-benzyl-N,N-dimethylpropanimidamide

N'-benzyl-N,N-dimethylpropanimidamide (PubChem CID 525836) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethylpropanimidamide
PubChem CID525836
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-benzyl-N,N-dimethylpropanimidamide
SMILESCC/C(=N\Cc1ccccc1)N(C)C
InChIInChI=1S/C12H18N2/c1-4-12(14(2)3)13-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/b13-12+
InChIKeyGTOOPRWBIUWQHJ-OUKQBFOZSA-N
XLogP2.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.56
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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Related Compounds

N-(3-(aminomethyl)benzyl)acetamidine
CID 1433
N-(Phenylmethyl)guanidine
CID 16644
Benzyltrimethylammonium
CID 5964
2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
N-Benzylacetamidine Hydrobromide
CID 25231659
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
n-Benzylacetamidine
CID 445678
N,N-Dimethyl-N'-diphenylmethyl-acetamidine
CID 42117
N,N-Dimethylbenzenecarboximidamide--hydrogen chloride (1/1)
CID 361539
Formamidine, N,N-dimethyl-N'-phenethyl-
CID 27487
N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
CID 523875

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethylpropanimidamide?
The IUPAC name of N'-benzyl-N,N-dimethylpropanimidamide (CID 525836) is N'-benzyl-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-benzyl-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-benzyl-N,N-dimethylpropanimidamide is CC/C(=N\Cc1ccccc1)N(C)C.
What is the InChIKey of N'-benzyl-N,N-dimethylpropanimidamide?
The InChIKey is GTOOPRWBIUWQHJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-12(14(2)3)13-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/b13-12+.
What are the key properties of N'-benzyl-N,N-dimethylpropanimidamide?
N'-benzyl-N,N-dimethylpropanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethylpropanimidamide is sourced from PubChem (CID 525836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).