N-(6-aminohexan-2-yl)octanamide

C14H30N2O — CID 123172105

IUPACN-(6-aminohexan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)CCCCN
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-11-14(17)16-13(2)10-8-9-12-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyWIZSPRGTTCRHAE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.98
Rot. Bonds11

About N-(6-aminohexan-2-yl)octanamide

N-(6-aminohexan-2-yl)octanamide (PubChem CID 123172105) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(6-aminohexan-2-yl)octanamide.

Molecular Properties

Compound NameN-(6-aminohexan-2-yl)octanamide
PubChem CID123172105
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(6-aminohexan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)CCCCN
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-11-14(17)16-13(2)10-8-9-12-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyWIZSPRGTTCRHAE-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.98
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-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(4-aminobutan-2-yl)octanamide
CID 62087208
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-pentan-2-ylundecanamide
CID 173258559
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
propyl (2S)-6-amino-2-(dodecanoylamino)hexanoate
CID 20606573
hexadecyl 6-amino-2-(hexadecanoylamino)hexanoate
CID 139584800
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexan-2-yl)octanamide?
The IUPAC name of N-(6-aminohexan-2-yl)octanamide (CID 123172105) is N-(6-aminohexan-2-yl)octanamide.
What is the SMILES notation for N-(6-aminohexan-2-yl)octanamide?
The canonical SMILES for N-(6-aminohexan-2-yl)octanamide is CCCCCCCC(=O)NC(C)CCCCN.
What is the InChIKey of N-(6-aminohexan-2-yl)octanamide?
The InChIKey is WIZSPRGTTCRHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-4-5-6-7-11-14(17)16-13(2)10-8-9-12-15/h13H,3-12,15H2,1-2H3,(H,16,17).
What are the key properties of N-(6-aminohexan-2-yl)octanamide?
N-(6-aminohexan-2-yl)octanamide has a molecular weight of 242.41 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexan-2-yl)octanamide is sourced from PubChem (CID 123172105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).