7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide

C13H27N3O2 — CID 103812823

IUPAC7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-11(13(18)15-2)10-16(3)12(17)8-6-4-5-7-9-14/h11H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyIOCYXHJPKZHDAF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.74
Rot. Bonds9

About 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide

7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide (PubChem CID 103812823) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
PubChem CID103812823
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-11(13(18)15-2)10-16(3)12(17)8-6-4-5-7-9-14/h11H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyIOCYXHJPKZHDAF-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide 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

7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 103812844
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
CID 106915323
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide?
The IUPAC name of 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide (CID 103812823) is 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide is CNC(=O)C(C)CN(C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide?
The InChIKey is IOCYXHJPKZHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(13(18)15-2)10-16(3)12(17)8-6-4-5-7-9-14/h11H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide?
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide has a molecular weight of 257.38 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide is sourced from PubChem (CID 103812823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).