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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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
CID 80507138
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 80507114
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
CID 64980597
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747

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).