nonan-2-yl 7-aminoheptanoate

C16H33NO2 — CID 15889560

IUPACnonan-2-yl 7-aminoheptanoate
SMILESCCCCCCCC(C)OC(=O)CCCCCCN
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-9-12-15(2)19-16(18)13-10-7-8-11-14-17/h15H,3-14,17H2,1-2H3
InChIKeyAJFZUQRLUATDBO-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.19
Rot. Bonds13

About nonan-2-yl 7-aminoheptanoate

nonan-2-yl 7-aminoheptanoate (PubChem CID 15889560) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is nonan-2-yl 7-aminoheptanoate.

Molecular Properties

Compound Namenonan-2-yl 7-aminoheptanoate
PubChem CID15889560
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Namenonan-2-yl 7-aminoheptanoate
SMILESCCCCCCCC(C)OC(=O)CCCCCCN
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-9-12-15(2)19-16(18)13-10-7-8-11-14-17/h15H,3-14,17H2,1-2H3
InChIKeyAJFZUQRLUATDBO-UHFFFAOYSA-N
XLogP4.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonan-2-yl 7-aminoheptanoate?
The IUPAC name of nonan-2-yl 7-aminoheptanoate (CID 15889560) is nonan-2-yl 7-aminoheptanoate.
What is the SMILES notation for nonan-2-yl 7-aminoheptanoate?
The canonical SMILES for nonan-2-yl 7-aminoheptanoate is CCCCCCCC(C)OC(=O)CCCCCCN.
What is the InChIKey of nonan-2-yl 7-aminoheptanoate?
The InChIKey is AJFZUQRLUATDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-4-5-6-9-12-15(2)19-16(18)13-10-7-8-11-14-17/h15H,3-14,17H2,1-2H3.
What are the key properties of nonan-2-yl 7-aminoheptanoate?
nonan-2-yl 7-aminoheptanoate has a molecular weight of 271.44 g/mol, XLogP of 4.19, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-yl 7-aminoheptanoate is sourced from PubChem (CID 15889560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).