N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide

C13H28N2O2 — CID 135358896

IUPACN-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
SMILESCCCCCCCC(=O)N(CCO)CCCN
InChIInChI=1S/C13H28N2O2/c1-2-3-4-5-6-8-13(17)15(11-12-16)10-7-9-14/h16H,2-12,14H2,1H3
InChIKeyVSPFQGGRLBMBRV-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.52
Rot. Bonds11

About N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide

N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide (PubChem CID 135358896) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
PubChem CID135358896
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
SMILESCCCCCCCC(=O)N(CCO)CCCN
InChIInChI=1S/C13H28N2O2/c1-2-3-4-5-6-8-13(17)15(11-12-16)10-7-9-14/h16H,2-12,14H2,1H3
InChIKeyVSPFQGGRLBMBRV-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.52
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,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide (CID 135358896) is N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide is CCCCCCCC(=O)N(CCO)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide?
The InChIKey is VSPFQGGRLBMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-2-3-4-5-6-8-13(17)15(11-12-16)10-7-9-14/h16H,2-12,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide?
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide has a molecular weight of 244.38 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide is sourced from PubChem (CID 135358896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).