2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine

C15H27N3 — CID 62847163

IUPAC2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
SMILESCc1cnc(CNC(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C15H27N3/c1-11(2)6-14(7-12(3)4)18-10-15-9-16-13(5)8-17-15/h8-9,11-12,14,18H,6-7,10H2,1-5H3
InChIKeyHSTAHIGINDLKAA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.34
Rot. Bonds7

About 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine

2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine (PubChem CID 62847163) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
PubChem CID62847163
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
SMILESCc1cnc(CNC(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C15H27N3/c1-11(2)6-14(7-12(3)4)18-10-15-9-16-13(5)8-17-15/h8-9,11-12,14,18H,6-7,10H2,1-5H3
InChIKeyHSTAHIGINDLKAA-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine (CID 62847163) is 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine is Cc1cnc(CNC(CC(C)C)CC(C)C)cn1.
What is the InChIKey of 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine?
The InChIKey is HSTAHIGINDLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)6-14(7-12(3)4)18-10-15-9-16-13(5)8-17-15/h8-9,11-12,14,18H,6-7,10H2,1-5H3.
What are the key properties of 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine?
2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine is sourced from PubChem (CID 62847163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).