2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide

C12H25N3O2 — CID 114167201

IUPAC2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCCCC(CN)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H25N3O2/c1-5-6-9(7-13)10(16)15-8-12(2,3)11(17)14-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyIZPPFQZARQXCKO-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds7

About 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide

2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide (PubChem CID 114167201) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
PubChem CID114167201
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCCCC(CN)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H25N3O2/c1-5-6-9(7-13)10(16)15-8-12(2,3)11(17)14-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyIZPPFQZARQXCKO-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]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

ethyl 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropanoate
CID 114167338
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
CID 106175532
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide (CID 114167201) is 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide is CCCC(CN)C(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide?
The InChIKey is IZPPFQZARQXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-6-9(7-13)10(16)15-8-12(2,3)11(17)14-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide?
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 114167201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).