7-(nonylamino)heptanoic acid;hydrobromide

C16H34BrNO2 — CID 71399860

IUPAC7-(nonylamino)heptanoic acid;hydrobromide
SMILESBr.CCCCCCCCCNCCCCCCC(=O)O
InChIInChI=1S/C16H33NO2.BrH/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16(18)19;/h17H,2-15H2,1H3,(H,18,19);1H
InChIKeySGVFPXLMYLRPJT-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.94
Rot. Bonds15

About 7-(nonylamino)heptanoic acid;hydrobromide

7-(nonylamino)heptanoic acid;hydrobromide (PubChem CID 71399860) has the molecular formula C16H34BrNO2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 7-(nonylamino)heptanoic acid;hydrobromide.

Molecular Properties

Compound Name7-(nonylamino)heptanoic acid;hydrobromide
PubChem CID71399860
Molecular FormulaC16H34BrNO2
Molecular Weight352.36 g/mol
Exact Mass351.18
IUPAC Name7-(nonylamino)heptanoic acid;hydrobromide
SMILESBr.CCCCCCCCCNCCCCCCC(=O)O
InChIInChI=1S/C16H33NO2.BrH/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16(18)19;/h17H,2-15H2,1H3,(H,18,19);1H
InChIKeySGVFPXLMYLRPJT-UHFFFAOYSA-N
XLogP4.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.94
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

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CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
N-butylbutan-1-amine;octanoic acid
CID 53326963
N-butylbutan-1-amine;decanedioic acid
CID 159923840
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
5-(butylamino)pentanoic acid;silver
CID 174567660
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 7-(nonylamino)heptanoic acid;hydrobromide?
The IUPAC name of 7-(nonylamino)heptanoic acid;hydrobromide (CID 71399860) is 7-(nonylamino)heptanoic acid;hydrobromide.
What is the SMILES notation for 7-(nonylamino)heptanoic acid;hydrobromide?
The canonical SMILES for 7-(nonylamino)heptanoic acid;hydrobromide is Br.CCCCCCCCCNCCCCCCC(=O)O.
What is the InChIKey of 7-(nonylamino)heptanoic acid;hydrobromide?
The InChIKey is SGVFPXLMYLRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.BrH/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16(18)19;/h17H,2-15H2,1H3,(H,18,19);1H.
What are the key properties of 7-(nonylamino)heptanoic acid;hydrobromide?
7-(nonylamino)heptanoic acid;hydrobromide has a molecular weight of 352.36 g/mol, XLogP of 4.94, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(nonylamino)heptanoic acid;hydrobromide is sourced from PubChem (CID 71399860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).