2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide

C14H30N4O — CID 80507190

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C14H30N4O/c1-6-14(3,4)16-13(19)11(2)18-8-7-17(5)10-12(18)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyWFHUCROCIPYDJW-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.25
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 80507190) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID80507190
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C14H30N4O/c1-6-14(3,4)16-13(19)11(2)18-8-7-17(5)10-12(18)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyWFHUCROCIPYDJW-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide (CID 80507190) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is WFHUCROCIPYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-14(3,4)16-13(19)11(2)18-8-7-17(5)10-12(18)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 80507190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).