2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide

C13H28N4O — CID 80506896

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C13H28N4O/c1-5-10(2)15-13(18)11(3)17-7-6-16(4)9-12(17)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyMHCZUQFCXNDEOC-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.14
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide (PubChem CID 80506896) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
PubChem CID80506896
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C13H28N4O/c1-5-10(2)15-13(18)11(3)17-7-6-16(4)9-12(17)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyMHCZUQFCXNDEOC-UHFFFAOYSA-N
XLogP-0.14
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.14
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-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide (CID 80506896) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide?
The InChIKey is MHCZUQFCXNDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-10(2)15-13(18)11(3)17-7-6-16(4)9-12(17)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,18).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of -0.14, 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-butan-2-ylpropanamide is sourced from PubChem (CID 80506896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).