N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide

C15H25N3 — CID 63176847

IUPACN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H25N3/c1-13(2)12-18(11-10-17(3)4)15(16)14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/b16-15-
InChIKeyGUJLGDHOTLUJKZ-NXVVXOECSA-N
MW247.39 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide (PubChem CID 63176847) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
PubChem CID63176847
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H25N3/c1-13(2)12-18(11-10-17(3)4)15(16)14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/b16-15-
InChIKeyGUJLGDHOTLUJKZ-NXVVXOECSA-N
XLogP2.53
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.53
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'}

Analyze N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
CID 63692580
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
CID 86999370
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
CID 116513793
N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
CID 63181437
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
3-[2-(benzenesulfonyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)urea
CID 87038970
N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
CID 102170630
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide (CID 63176847) is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide is [H]/N=C(/c1ccccc1)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide?
The InChIKey is GUJLGDHOTLUJKZ-NXVVXOECSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)12-18(11-10-17(3)4)15(16)14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/b16-15-.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide?
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide has a molecular weight of 247.39 g/mol, XLogP of 2.53, 6 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-(2-methylpropyl)benzenecarboximidamide is sourced from PubChem (CID 63176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).