N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide

C12H19N3 — CID 63725873

IUPACN-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(C)CCN(C)C
InChIInChI=1S/C12H19N3/c1-14(2)9-10-15(3)12(13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/b13-12-
InChIKeyBLZDYGPSCJRCIJ-SEYXRHQNSA-N
MW205.31 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide

N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide (PubChem CID 63725873) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
PubChem CID63725873
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(C)CCN(C)C
InChIInChI=1S/C12H19N3/c1-14(2)9-10-15(3)12(13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/b13-12-
InChIKeyBLZDYGPSCJRCIJ-SEYXRHQNSA-N
XLogP1.51
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.51
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

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
CID 63176847
N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide
CID 63177301
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
CID 63692580
N-cyclopropyl-N-ethylbenzenecarboximidamide
CID 63176198
N-(2-fluorophenyl)-N-methylbenzenecarboximidamide
CID 55159016
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
CID 134889697
CID 134889697
4-formyl-N-methyl-N-pentylbenzenecarboximidamide
CID 142083581
N-cyclopentyl-N-ethylbenzenecarboximidamide
CID 63175661
benzenecarboximidoyl(benzyl)carbamic acid
CID 150321176

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide (CID 63725873) is N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide is [H]/N=C(/c1ccccc1)N(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide?
The InChIKey is BLZDYGPSCJRCIJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H19N3/c1-14(2)9-10-15(3)12(13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/b13-12-.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide?
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide has a molecular weight of 205.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide is sourced from PubChem (CID 63725873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).