N-(7-aminoheptyl)propanamide

C10H22N2O — CID 90266333

IUPACN-(7-aminoheptyl)propanamide
SMILESCCC(=O)NCCCCCCCN
InChIInChI=1S/C10H22N2O/c1-2-10(13)12-9-7-5-3-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyKZBQLBQCFDEWTI-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.42
Rot. Bonds8

About N-(7-aminoheptyl)propanamide

N-(7-aminoheptyl)propanamide (PubChem CID 90266333) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(7-aminoheptyl)propanamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)propanamide
PubChem CID90266333
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(7-aminoheptyl)propanamide
SMILESCCC(=O)NCCCCCCCN
InChIInChI=1S/C10H22N2O/c1-2-10(13)12-9-7-5-3-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyKZBQLBQCFDEWTI-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)propanamide?
The IUPAC name of N-(7-aminoheptyl)propanamide (CID 90266333) is N-(7-aminoheptyl)propanamide.
What is the SMILES notation for N-(7-aminoheptyl)propanamide?
The canonical SMILES for N-(7-aminoheptyl)propanamide is CCC(=O)NCCCCCCCN.
What is the InChIKey of N-(7-aminoheptyl)propanamide?
The InChIKey is KZBQLBQCFDEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-10(13)12-9-7-5-3-4-6-8-11/h2-9,11H2,1H3,(H,12,13).
What are the key properties of N-(7-aminoheptyl)propanamide?
N-(7-aminoheptyl)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)propanamide is sourced from PubChem (CID 90266333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).