6-(heptanoylamino)hexylazanium

C13H29N2O+ — CID 164842773

IUPAC6-(heptanoylamino)hexylazanium
SMILESCCCCCCC(=O)NCCCCCC[NH3+]
InChIInChI=1S/C13H28N2O/c1-2-3-4-7-10-13(16)15-12-9-6-5-8-11-14/h2-12,14H2,1H3,(H,15,16)/p+1
InChIKeyPFGURWYRJKQMHC-UHFFFAOYSA-O
MW229.39 g/mol
LogP1.88
Rot. Bonds11

About 6-(heptanoylamino)hexylazanium

6-(heptanoylamino)hexylazanium (PubChem CID 164842773) has the molecular formula C13H29N2O+ and a molecular weight of 229.39 g/mol. Its IUPAC name is 6-(heptanoylamino)hexylazanium.

Molecular Properties

Compound Name6-(heptanoylamino)hexylazanium
PubChem CID164842773
Molecular FormulaC13H29N2O+
Molecular Weight229.39 g/mol
Exact Mass229.23
IUPAC Name6-(heptanoylamino)hexylazanium
SMILESCCCCCCC(=O)NCCCCCC[NH3+]
InChIInChI=1S/C13H28N2O/c1-2-3-4-7-10-13(16)15-12-9-6-5-8-11-14/h2-12,14H2,1H3,(H,15,16)/p+1
InChIKeyPFGURWYRJKQMHC-UHFFFAOYSA-O
XLogP1.88
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of 6-(heptanoylamino)hexylazanium?
The IUPAC name of 6-(heptanoylamino)hexylazanium (CID 164842773) is 6-(heptanoylamino)hexylazanium.
What is the SMILES notation for 6-(heptanoylamino)hexylazanium?
The canonical SMILES for 6-(heptanoylamino)hexylazanium is CCCCCCC(=O)NCCCCCC[NH3+].
What is the InChIKey of 6-(heptanoylamino)hexylazanium?
The InChIKey is PFGURWYRJKQMHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H28N2O/c1-2-3-4-7-10-13(16)15-12-9-6-5-8-11-14/h2-12,14H2,1H3,(H,15,16)/p+1.
What are the key properties of 6-(heptanoylamino)hexylazanium?
6-(heptanoylamino)hexylazanium has a molecular weight of 229.39 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(heptanoylamino)hexylazanium is sourced from PubChem (CID 164842773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).