N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C17H31N3 — CID 162423998

IUPACN-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cnc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H31N3/c1-16(2,3)14-11-13(18-9-10-20(7)8)12-19-15(14)17(4,5)6/h11-12,18H,9-10H2,1-8H3
InChIKeyMDCAJQDGNADKGJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.65
Rot. Bonds4

About N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine

N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 162423998) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID162423998
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cnc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H31N3/c1-16(2,3)14-11-13(18-9-10-20(7)8)12-19-15(14)17(4,5)6/h11-12,18H,9-10H2,1-8H3
InChIKeyMDCAJQDGNADKGJ-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 58816279
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266

Frequently Asked Questions

What is the IUPAC name of N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 162423998) is N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cnc(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MDCAJQDGNADKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2,3)14-11-13(18-9-10-20(7)8)12-19-15(14)17(4,5)6/h11-12,18H,9-10H2,1-8H3.
What are the key properties of N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162423998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).