N-(3-aminopropyl)-5-oxoheptanamide

C10H20N2O2 — CID 91122270

IUPACN-(3-aminopropyl)-5-oxoheptanamide
SMILESCCC(=O)CCCC(=O)NCCCN
InChIInChI=1S/C10H20N2O2/c1-2-9(13)5-3-6-10(14)12-8-4-7-11/h2-8,11H2,1H3,(H,12,14)
InChIKeyDGOHZLMLELXXNY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.60
Rot. Bonds8

About N-(3-aminopropyl)-5-oxoheptanamide

N-(3-aminopropyl)-5-oxoheptanamide (PubChem CID 91122270) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-oxoheptanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-oxoheptanamide
PubChem CID91122270
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(3-aminopropyl)-5-oxoheptanamide
SMILESCCC(=O)CCCC(=O)NCCCN
InChIInChI=1S/C10H20N2O2/c1-2-9(13)5-3-6-10(14)12-8-4-7-11/h2-8,11H2,1H3,(H,12,14)
InChIKeyDGOHZLMLELXXNY-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)propanamide
CID 21290277
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(4-oxohexyl)octadecanamide
CID 90448629
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(4-oxohexyl)pentadecanamide
CID 170421941
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
8-oxo-N-propyldecanamide
CID 156819961
7-amino-N-butylheptanamide
CID 24689519
6-amino-N-butylhexanamide
CID 14914743
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-oxoheptanamide?
The IUPAC name of N-(3-aminopropyl)-5-oxoheptanamide (CID 91122270) is N-(3-aminopropyl)-5-oxoheptanamide.
What is the SMILES notation for N-(3-aminopropyl)-5-oxoheptanamide?
The canonical SMILES for N-(3-aminopropyl)-5-oxoheptanamide is CCC(=O)CCCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-5-oxoheptanamide?
The InChIKey is DGOHZLMLELXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-9(13)5-3-6-10(14)12-8-4-7-11/h2-8,11H2,1H3,(H,12,14).
What are the key properties of N-(3-aminopropyl)-5-oxoheptanamide?
N-(3-aminopropyl)-5-oxoheptanamide has a molecular weight of 200.28 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-oxoheptanamide is sourced from PubChem (CID 91122270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).