9-aminononanoyl 12-aminododecanoate

C21H42N2O3 — CID 88667925

IUPAC9-aminononanoyl 12-aminododecanoate
SMILESNCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCN
InChIInChI=1S/C21H42N2O3/c22-18-14-10-6-3-1-2-4-8-12-16-20(24)26-21(25)17-13-9-5-7-11-15-19-23/h1-19,22-23H2
InChIKeyMRNGHKYXPVWTDU-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.61
Rot. Bonds19

About 9-aminononanoyl 12-aminododecanoate

9-aminononanoyl 12-aminododecanoate (PubChem CID 88667925) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is 9-aminononanoyl 12-aminododecanoate.

Molecular Properties

Compound Name9-aminononanoyl 12-aminododecanoate
PubChem CID88667925
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Name9-aminononanoyl 12-aminododecanoate
SMILESNCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCN
InChIInChI=1S/C21H42N2O3/c22-18-14-10-6-3-1-2-4-8-12-16-20(24)26-21(25)17-13-9-5-7-11-15-19-23/h1-19,22-23H2
InChIKeyMRNGHKYXPVWTDU-UHFFFAOYSA-N
XLogP4.61
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
amino 8-aminooctanoate
CID 87659694
methyl 10-aminodecanoate
CID 10655700
ethoxycarbonyl 11-aminoundecanoate;hydrochloride
CID 174925199
amino 5-aminopentanoate
CID 22929227
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
but-2-enoyl 8-aminooctanoate
CID 174837236
bis(3-aminopropyl) hexadecanedioate
CID 100956713
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442

Frequently Asked Questions

What is the IUPAC name of 9-aminononanoyl 12-aminododecanoate?
The IUPAC name of 9-aminononanoyl 12-aminododecanoate (CID 88667925) is 9-aminononanoyl 12-aminododecanoate.
What is the SMILES notation for 9-aminononanoyl 12-aminododecanoate?
The canonical SMILES for 9-aminononanoyl 12-aminododecanoate is NCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCN.
What is the InChIKey of 9-aminononanoyl 12-aminododecanoate?
The InChIKey is MRNGHKYXPVWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3/c22-18-14-10-6-3-1-2-4-8-12-16-20(24)26-21(25)17-13-9-5-7-11-15-19-23/h1-19,22-23H2.
What are the key properties of 9-aminononanoyl 12-aminododecanoate?
9-aminononanoyl 12-aminododecanoate has a molecular weight of 370.58 g/mol, XLogP of 4.61, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminononanoyl 12-aminododecanoate is sourced from PubChem (CID 88667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).