14-aminopentadecanoic acid

C15H31NO2 — CID 87306551

IUPAC14-aminopentadecanoic acid
SMILESCC(N)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyASPWRKHSIIJNQG-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.10
Rot. Bonds13

About 14-aminopentadecanoic acid

14-aminopentadecanoic acid (PubChem CID 87306551) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 14-aminopentadecanoic acid.

Molecular Properties

Compound Name14-aminopentadecanoic acid
PubChem CID87306551
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name14-aminopentadecanoic acid
SMILESCC(N)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyASPWRKHSIIJNQG-UHFFFAOYSA-N
XLogP4.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.10
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

10-aminoundecanoic acid
CID 3771397
(6S)-6-aminoheptanoic acid
CID 54134193
bis(hexan-2-amine);hexanedioic acid
CID 174667104
6,12-diaminoheptadecanedioic acid
CID 23455605
16-methylheptadecanoic acid
CID 87200881
19-methylheptatriacontanedioic acid
CID 141009772
5-aminododecanedioic acid
CID 3835680
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
20-hydroxyhenicosanoic acid
CID 19591814
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
sodium;hydride;6-methylheptanoic acid
CID 174475906

Frequently Asked Questions

What is the IUPAC name of 14-aminopentadecanoic acid?
The IUPAC name of 14-aminopentadecanoic acid (CID 87306551) is 14-aminopentadecanoic acid.
What is the SMILES notation for 14-aminopentadecanoic acid?
The canonical SMILES for 14-aminopentadecanoic acid is CC(N)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-aminopentadecanoic acid?
The InChIKey is ASPWRKHSIIJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18).
What are the key properties of 14-aminopentadecanoic acid?
14-aminopentadecanoic acid has a molecular weight of 257.42 g/mol, XLogP of 4.10, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminopentadecanoic acid is sourced from PubChem (CID 87306551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).