N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine

C17H38N2 — CID 55194447

IUPACN-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-9-15(5)19(12-4)14-17(10-2,11-3)13-18-16(6,7)8/h15,18H,9-14H2,1-8H3
InChIKeyNCDUZKOMVUAKJQ-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.30
Rot. Bonds9

About N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine

N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine (PubChem CID 55194447) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine
PubChem CID55194447
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-9-15(5)19(12-4)14-17(10-2,11-3)13-18-16(6,7)8/h15,18H,9-14H2,1-8H3
InChIKeyNCDUZKOMVUAKJQ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-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-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine (CID 55194447) is N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine is CCC(C)N(CC)CC(CC)(CC)CNC(C)(C)C.
What is the InChIKey of N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine?
The InChIKey is NCDUZKOMVUAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-9-15(5)19(12-4)14-17(10-2,11-3)13-18-16(6,7)8/h15,18H,9-14H2,1-8H3.
What are the key properties of N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine?
N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine is sourced from PubChem (CID 55194447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).