N-(7-aminoheptyl)acetamide

C9H20N2O — CID 13446521

IUPACN-(7-aminoheptyl)acetamide
SMILESCC(=O)NCCCCCCCN
InChIInChI=1S/C9H20N2O/c1-9(12)11-8-6-4-2-3-5-7-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyBTMASDQJVWDZEZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.03
Rot. Bonds7

About N-(7-aminoheptyl)acetamide

N-(7-aminoheptyl)acetamide (PubChem CID 13446521) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(7-aminoheptyl)acetamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)acetamide
PubChem CID13446521
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(7-aminoheptyl)acetamide
SMILESCC(=O)NCCCCCCCN
InChIInChI=1S/C9H20N2O/c1-9(12)11-8-6-4-2-3-5-7-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyBTMASDQJVWDZEZ-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N1-Acetylspermine
CID 916
Hexamethylene Bisacetamide
CID 3616
N-Acetylputrescine
CID 122356
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-Acetylcadaverine
CID 189087
N-Dodecylacetamide
CID 19764
N-Hexylacetamide
CID 24129
Acetamide, N-nonyl-
CID 39431
N-Decylacetamide
CID 98880
N-Hexylbutanamide
CID 25112
Valeramide, N-hexyl-
CID 82502

Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)acetamide?
The IUPAC name of N-(7-aminoheptyl)acetamide (CID 13446521) is N-(7-aminoheptyl)acetamide.
What is the SMILES notation for N-(7-aminoheptyl)acetamide?
The canonical SMILES for N-(7-aminoheptyl)acetamide is CC(=O)NCCCCCCCN.
What is the InChIKey of N-(7-aminoheptyl)acetamide?
The InChIKey is BTMASDQJVWDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12)11-8-6-4-2-3-5-7-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of N-(7-aminoheptyl)acetamide?
N-(7-aminoheptyl)acetamide has a molecular weight of 172.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)acetamide is sourced from PubChem (CID 13446521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).