N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine

C12H21N3 — CID 155936301

IUPACN-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1cnccn1
InChIInChI=1S/C12H21N3/c1-11(2,3)9-12(4,5)15-10-8-13-6-7-14-10/h6-8H,9H2,1-5H3,(H,14,15)
InChIKeyLMFTXONIXBAADC-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.10
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine

N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine (PubChem CID 155936301) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine
PubChem CID155936301
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1cnccn1
InChIInChI=1S/C12H21N3/c1-11(2,3)9-12(4,5)15-10-8-13-6-7-14-10/h6-8H,9H2,1-5H3,(H,14,15)
InChIKeyLMFTXONIXBAADC-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine (CID 155936301) is N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine is CC(C)(C)CC(C)(C)Nc1cnccn1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine?
The InChIKey is LMFTXONIXBAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)9-12(4,5)15-10-8-13-6-7-14-10/h6-8H,9H2,1-5H3,(H,14,15).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine?
N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 155936301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).