N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine

C12H21N3 — CID 62847900

IUPACN-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C12H21N3/c1-4-5-6-10(2)13-8-12-9-14-11(3)7-15-12/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyFYXOBLZVCKJPQH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine

N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine (PubChem CID 62847900) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
PubChem CID62847900
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C12H21N3/c1-4-5-6-10(2)13-8-12-9-14-11(3)7-15-12/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyFYXOBLZVCKJPQH-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
CID 62846047
1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine
CID 62845537
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112700198
2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
CID 62847163
N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
CID 115906670
N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861
1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846796
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 103096842
2-butyl-5-methylpyrazine
CID 6428803
N-(pyrimidin-5-ylmethyl)hexan-2-amine
CID 62759376

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine (CID 62847900) is N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine is CCCCC(C)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine?
The InChIKey is FYXOBLZVCKJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-10(2)13-8-12-9-14-11(3)7-15-12/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 62847900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).