2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine

C11H19N3 — CID 135203392

IUPAC2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
SMILESCN(C)C(N)(CN)Cc1ccccc1
InChIInChI=1S/C11H19N3/c1-14(2)11(13,9-12)8-10-6-4-3-5-7-10/h3-7H,8-9,12-13H2,1-2H3
InChIKeyOILFTBQKWPVGDA-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.40
Rot. Bonds4

About 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine

2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine (PubChem CID 135203392) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine.

Molecular Properties

Compound Name2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
PubChem CID135203392
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
SMILESCN(C)C(N)(CN)Cc1ccccc1
InChIInChI=1S/C11H19N3/c1-14(2)11(13,9-12)8-10-6-4-3-5-7-10/h3-7H,8-9,12-13H2,1-2H3
InChIKeyOILFTBQKWPVGDA-UHFFFAOYSA-N
XLogP0.40
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine 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

(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
2-benzyl-3-phenylpropane-1,2-diamine;dichloroplatinum
CID 14577055
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
2-N-(cyclopropylmethyl)-2-N,2-dimethyl-3-phenylpropane-1,2-diamine
CID 114993617
2-N-[2-(dimethylamino)ethyl]-2-methyl-3-phenylpropane-1,2-diamine
CID 65382903
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
2-benzyl-3,3-difluoro-2-methylpropan-1-amine
CID 84721110
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine?
The IUPAC name of 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine (CID 135203392) is 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine.
What is the SMILES notation for 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine?
The canonical SMILES for 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine is CN(C)C(N)(CN)Cc1ccccc1.
What is the InChIKey of 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine?
The InChIKey is OILFTBQKWPVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(2)11(13,9-12)8-10-6-4-3-5-7-10/h3-7H,8-9,12-13H2,1-2H3.
What are the key properties of 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine?
2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine has a molecular weight of 193.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine is sourced from PubChem (CID 135203392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).