N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine

C13H23N3 — CID 13042201

IUPACN,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
SMILESCN(C)C(c1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C13H23N3/c1-14(2)13(15(3)4,16(5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyZDUSWMDFBQSWRM-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.48
Rot. Bonds4

About N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine

N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine (PubChem CID 13042201) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine.

Molecular Properties

Compound NameN,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
PubChem CID13042201
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
SMILESCN(C)C(c1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C13H23N3/c1-14(2)13(15(3)4,16(5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyZDUSWMDFBQSWRM-UHFFFAOYSA-N
XLogP1.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine 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

tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
N,N',N",N"-tetramethyl-1-phenylmethanetriamine
CID 172823896
N,N-dimethyl-1-phenyl-1-triphenylsilylethanamine
CID 4663301
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol
CID 102003642
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
CID 10686982
2-(dimethylamino)-2-phenylbutan-1-ol
CID 3016037
1-(dimethylamino)-1-phenylethanesulfonic acid
CID 174528406

Frequently Asked Questions

What is the IUPAC name of N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine?
The IUPAC name of N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine (CID 13042201) is N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine.
What is the SMILES notation for N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine?
The canonical SMILES for N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine is CN(C)C(c1ccccc1)(N(C)C)N(C)C.
What is the InChIKey of N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine?
The InChIKey is ZDUSWMDFBQSWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14(2)13(15(3)4,16(5)6)12-10-8-7-9-11-12/h7-11H,1-6H3.
What are the key properties of N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine?
N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine has a molecular weight of 221.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine is sourced from PubChem (CID 13042201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).