N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine

C16H28N2 — CID 62264174

IUPACN,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
SMILESCCNCC(C)(CC)CN(CC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-16(4,13-17-6-2)14-18(7-3)15-11-9-8-10-12-15/h8-12,17H,5-7,13-14H2,1-4H3
InChIKeyAIODXIWVIIMRMK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.54
Rot. Bonds8

About N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine

N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 62264174) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
PubChem CID62264174
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
SMILESCCNCC(C)(CC)CN(CC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-16(4,13-17-6-2)14-18(7-3)15-11-9-8-10-12-15/h8-12,17H,5-7,13-14H2,1-4H3
InChIKeyAIODXIWVIIMRMK-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine (CID 62264174) is N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine is CCNCC(C)(CC)CN(CC)c1ccccc1.
What is the InChIKey of N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is AIODXIWVIIMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-16(4,13-17-6-2)14-18(7-3)15-11-9-8-10-12-15/h8-12,17H,5-7,13-14H2,1-4H3.
What are the key properties of N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine?
N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 62264174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).