N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine

C14H21N5 — CID 91830852

IUPACN-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)Cn1cncc1CN(C)Cc1cnccn1
InChIInChI=1S/C14H21N5/c1-12(2)8-19-11-16-7-14(19)10-18(3)9-13-6-15-4-5-17-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNWLDHXQGMZRULR-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine

N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 91830852) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID91830852
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)Cn1cncc1CN(C)Cc1cnccn1
InChIInChI=1S/C14H21N5/c1-12(2)8-19-11-16-7-14(19)10-18(3)9-13-6-15-4-5-17-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNWLDHXQGMZRULR-UHFFFAOYSA-N
XLogP1.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine (CID 91830852) is N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine is CC(C)Cn1cncc1CN(C)Cc1cnccn1.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is NWLDHXQGMZRULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12(2)8-19-11-16-7-14(19)10-18(3)9-13-6-15-4-5-17-13/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine?
N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 259.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)imidazol-4-yl]-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 91830852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).