3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide

C15H32N4O — CID 81086850

IUPAC3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-5-13(11-16)10-14(20)17-12-15(2,3)19-8-6-18(4)7-9-19/h13H,5-12,16H2,1-4H3,(H,17,20)
InChIKeyGGFQOTHJZLQQJN-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.50
Rot. Bonds7

About 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide

3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide (PubChem CID 81086850) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
PubChem CID81086850
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-5-13(11-16)10-14(20)17-12-15(2,3)19-8-6-18(4)7-9-19/h13H,5-12,16H2,1-4H3,(H,17,20)
InChIKeyGGFQOTHJZLQQJN-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 82012149
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 64677799
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
2-(1-aminocyclopentyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64677798
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61274483
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine
CID 28728916
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide (CID 81086850) is 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide is CCC(CN)CC(=O)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is GGFQOTHJZLQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-13(11-16)10-14(20)17-12-15(2,3)19-8-6-18(4)7-9-19/h13H,5-12,16H2,1-4H3,(H,17,20).
What are the key properties of 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 284.45 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 81086850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).