2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine

C13H24N4 — CID 62761622

IUPAC2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cnccn1)N(C)C
InChIInChI=1S/C13H24N4/c1-11(2)7-13(17(3)4)10-15-9-12-8-14-5-6-16-12/h5-6,8,11,13,15H,7,9-10H2,1-4H3
InChIKeyVNDGXFZSZRESGY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds7

About 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine (PubChem CID 62761622) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine
PubChem CID62761622
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cnccn1)N(C)C
InChIInChI=1S/C13H24N4/c1-11(2)7-13(17(3)4)10-15-9-12-8-14-5-6-16-12/h5-6,8,11,13,15H,7,9-10H2,1-4H3
InChIKeyVNDGXFZSZRESGY-UHFFFAOYSA-N
XLogP1.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977
2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
CID 62763078
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 79548304
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523
N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 43771693
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine (CID 62761622) is 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine is CC(C)CC(CNCc1cnccn1)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is VNDGXFZSZRESGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)7-13(17(3)4)10-15-9-12-8-14-5-6-16-12/h5-6,8,11,13,15H,7,9-10H2,1-4H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 62761622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).