N-(4-aminobutan-2-yl)octanamide

C12H26N2O — CID 62087208

IUPACN-(4-aminobutan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)CCN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-8-12(15)14-11(2)9-10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyJATLLTMIXBFWII-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds9

About N-(4-aminobutan-2-yl)octanamide

N-(4-aminobutan-2-yl)octanamide (PubChem CID 62087208) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)octanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)octanamide
PubChem CID62087208
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(4-aminobutan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)CCN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-8-12(15)14-11(2)9-10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyJATLLTMIXBFWII-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.20
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

N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-(1-aminopentan-3-yl)hexanamide
CID 62652516

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)octanamide?
The IUPAC name of N-(4-aminobutan-2-yl)octanamide (CID 62087208) is N-(4-aminobutan-2-yl)octanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)octanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)octanamide is CCCCCCCC(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)octanamide?
The InChIKey is JATLLTMIXBFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-6-7-8-12(15)14-11(2)9-10-13/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)octanamide?
N-(4-aminobutan-2-yl)octanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)octanamide is sourced from PubChem (CID 62087208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).