N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine

C17H38N2 — CID 55194829

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

About N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine

N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine (PubChem CID 55194829) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
PubChem CID55194829
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)CC(C)CC
InChIInChI=1S/C17H38N2/c1-9-11-17(7,13-18-16(4,5)6)14-19(8)12-15(3)10-2/h15,18H,9-14H2,1-8H3
InChIKeyYKWRQDWFMHIEML-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine (CID 55194829) is N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)CC(C)CC.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine?
The InChIKey is YKWRQDWFMHIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-9-11-17(7,13-18-16(4,5)6)14-19(8)12-15(3)10-2/h15,18H,9-14H2,1-8H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 55194829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).