N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine

C19H42N2 — CID 63494621

IUPACN-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CC(CC)CC
InChIInChI=1S/C19H42N2/c1-9-13-19(8,15-20-18(5,6)7)16-21(12-4)14-17(10-2)11-3/h17,20H,9-16H2,1-8H3
InChIKeyPVCFVSPTXSNXBZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.94
Rot. Bonds11

About N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine

N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine (PubChem CID 63494621) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
PubChem CID63494621
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC NameN-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CC(CC)CC
InChIInChI=1S/C19H42N2/c1-9-13-19(8,15-20-18(5,6)7)16-21(12-4)14-17(10-2)11-3/h17,20H,9-16H2,1-8H3
InChIKeyPVCFVSPTXSNXBZ-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.94
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'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine (CID 63494621) is N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(CC)CC(CC)CC.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine?
The InChIKey is PVCFVSPTXSNXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-9-13-19(8,15-20-18(5,6)7)16-21(12-4)14-17(10-2)11-3/h17,20H,9-16H2,1-8H3.
What are the key properties of N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine?
N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).