N-cyclopropyl-N-ethylbenzenecarboximidamide

C12H16N2 — CID 63176198

IUPACN-cyclopropyl-N-ethylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(CC)C1CC1
InChIInChI=1S/C12H16N2/c1-2-14(11-8-9-11)12(13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/b13-12+
InChIKeyDEMSHRAINNYDDW-OUKQBFOZSA-N
MW188.27 g/mol
LogP2.50
Rot. Bonds3

About N-cyclopropyl-N-ethylbenzenecarboximidamide

N-cyclopropyl-N-ethylbenzenecarboximidamide (PubChem CID 63176198) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-cyclopropyl-N-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethylbenzenecarboximidamide
PubChem CID63176198
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-cyclopropyl-N-ethylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(CC)C1CC1
InChIInChI=1S/C12H16N2/c1-2-14(11-8-9-11)12(13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/b13-12+
InChIKeyDEMSHRAINNYDDW-OUKQBFOZSA-N
XLogP2.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
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-cyclopentyl-N-ethylbenzenecarboximidamide
CID 63175661
N-cyclohexyl-N-ethylbenzenecarboximidamide
CID 63178786
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
CID 63692580
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
N-(1-formylpyrrolidin-3-yl)-N-methylbenzenecarboximidamide
CID 145062799
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
benzenecarboximidoyl(benzyl)carbamic acid
CID 150321176
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethylbenzenecarboximidamide?
The IUPAC name of N-cyclopropyl-N-ethylbenzenecarboximidamide (CID 63176198) is N-cyclopropyl-N-ethylbenzenecarboximidamide.
What is the SMILES notation for N-cyclopropyl-N-ethylbenzenecarboximidamide?
The canonical SMILES for N-cyclopropyl-N-ethylbenzenecarboximidamide is [H]/N=C(\c1ccccc1)N(CC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethylbenzenecarboximidamide?
The InChIKey is DEMSHRAINNYDDW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-14(11-8-9-11)12(13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/b13-12+.
What are the key properties of N-cyclopropyl-N-ethylbenzenecarboximidamide?
N-cyclopropyl-N-ethylbenzenecarboximidamide has a molecular weight of 188.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethylbenzenecarboximidamide is sourced from PubChem (CID 63176198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).