(7-amino-7-oxoheptan-2-yl)-trimethylazanium

C10H23N2O+ — CID 174529134

IUPAC(7-amino-7-oxoheptan-2-yl)-trimethylazanium
SMILESCC(CCCCC(N)=O)[N+](C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(12(2,3)4)7-5-6-8-10(11)13/h9H,5-8H2,1-4H3,(H-,11,13)/p+1
InChIKeyIHZPEKJGQWDYGT-UHFFFAOYSA-O
MW187.31 g/mol
LogP1.13
Rot. Bonds6

About (7-amino-7-oxoheptan-2-yl)-trimethylazanium

(7-amino-7-oxoheptan-2-yl)-trimethylazanium (PubChem CID 174529134) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is (7-amino-7-oxoheptan-2-yl)-trimethylazanium.

Molecular Properties

Compound Name(7-amino-7-oxoheptan-2-yl)-trimethylazanium
PubChem CID174529134
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Name(7-amino-7-oxoheptan-2-yl)-trimethylazanium
SMILESCC(CCCCC(N)=O)[N+](C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(12(2,3)4)7-5-6-8-10(11)13/h9H,5-8H2,1-4H3,(H-,11,13)/p+1
InChIKeyIHZPEKJGQWDYGT-UHFFFAOYSA-O
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

21-methyldotetracontanediamide
CID 87333254
hexanediamide;propane-1,2-diol
CID 175159738
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
10-hydroxy-7,9-dimethyldecanamide
CID 174403190
octadecanamide;bis(propan-2-ol)
CID 90014672
docosan-2-yl(trimethyl)azanium
CID 141375855
15-ethylnonacosanediamide
CID 141183964
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160978463
pentadecanediamide
CID 87429217

Frequently Asked Questions

What is the IUPAC name of (7-amino-7-oxoheptan-2-yl)-trimethylazanium?
The IUPAC name of (7-amino-7-oxoheptan-2-yl)-trimethylazanium (CID 174529134) is (7-amino-7-oxoheptan-2-yl)-trimethylazanium.
What is the SMILES notation for (7-amino-7-oxoheptan-2-yl)-trimethylazanium?
The canonical SMILES for (7-amino-7-oxoheptan-2-yl)-trimethylazanium is CC(CCCCC(N)=O)[N+](C)(C)C.
What is the InChIKey of (7-amino-7-oxoheptan-2-yl)-trimethylazanium?
The InChIKey is IHZPEKJGQWDYGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O/c1-9(12(2,3)4)7-5-6-8-10(11)13/h9H,5-8H2,1-4H3,(H-,11,13)/p+1.
What are the key properties of (7-amino-7-oxoheptan-2-yl)-trimethylazanium?
(7-amino-7-oxoheptan-2-yl)-trimethylazanium has a molecular weight of 187.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-7-oxoheptan-2-yl)-trimethylazanium is sourced from PubChem (CID 174529134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).