2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C16H30N4 — CID 63024438

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4/c1-5-16(4,12-17-10-14(2)3)13-19-8-9-20-7-6-18-15(20)11-19/h6-7,14,17H,5,8-13H2,1-4H3
InChIKeyWLLQCFRSMJSEJX-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds7

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63024438) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63024438
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4/c1-5-16(4,12-17-10-14(2)3)13-19-8-9-20-7-6-18-15(20)11-19/h6-7,14,17H,5,8-13H2,1-4H3
InChIKeyWLLQCFRSMJSEJX-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 63024438) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)CN1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WLLQCFRSMJSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16(4,12-17-10-14(2)3)13-19-8-9-20-7-6-18-15(20)11-19/h6-7,14,17H,5,8-13H2,1-4H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63024438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).