N-(pyrazin-2-ylmethyl)butan-2-amine

C9H15N3 — CID 61023237

IUPACN-(pyrazin-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnccn1
InChIInChI=1S/C9H15N3/c1-3-8(2)12-7-9-6-10-4-5-11-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyKMTHFWZXMCRIIW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.36
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)butan-2-amine

N-(pyrazin-2-ylmethyl)butan-2-amine (PubChem CID 61023237) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)butan-2-amine
PubChem CID61023237
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(pyrazin-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnccn1
InChIInChI=1S/C9H15N3/c1-3-8(2)12-7-9-6-10-4-5-11-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyKMTHFWZXMCRIIW-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
2-(pyrazin-2-ylmethylamino)propane-1,3-diol
CID 65312354
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82425407
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
CID 62761624
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-(pyrazin-2-ylmethyl)butan-2-amine (CID 61023237) is N-(pyrazin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)butan-2-amine is CCC(C)NCc1cnccn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)butan-2-amine?
The InChIKey is KMTHFWZXMCRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-8(2)12-7-9-6-10-4-5-11-9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-(pyrazin-2-ylmethyl)butan-2-amine?
N-(pyrazin-2-ylmethyl)butan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 61023237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).