9-aminopentadecanoic acid

C15H31NO2 — CID 87304604

IUPAC9-aminopentadecanoic acid
SMILESCCCCCCC(N)CCCCCCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-2-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyDXACPVOADGKGLG-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.10
Rot. Bonds13

About 9-aminopentadecanoic acid

9-aminopentadecanoic acid (PubChem CID 87304604) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 9-aminopentadecanoic acid.

Molecular Properties

Compound Name9-aminopentadecanoic acid
PubChem CID87304604
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name9-aminopentadecanoic acid
SMILESCCCCCCC(N)CCCCCCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-2-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyDXACPVOADGKGLG-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

7-aminoundecanoic acid
CID 87457372
11-aminotetradecanoic acid
CID 87305919
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
6,12-diaminoheptadecanedioic acid
CID 23455605
5-aminododecanedioic acid
CID 3835680
10-hexyloctadecanoic acid
CID 91174619
23-pentylpentatetracontanedioic acid
CID 141048477
acetic acid;heptatriacontan-19-amine
CID 173373447
dodecanoic acid
CID 158187269
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of 9-aminopentadecanoic acid?
The IUPAC name of 9-aminopentadecanoic acid (CID 87304604) is 9-aminopentadecanoic acid.
What is the SMILES notation for 9-aminopentadecanoic acid?
The canonical SMILES for 9-aminopentadecanoic acid is CCCCCCC(N)CCCCCCCC(=O)O.
What is the InChIKey of 9-aminopentadecanoic acid?
The InChIKey is DXACPVOADGKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18/h14H,2-13,16H2,1H3,(H,17,18).
What are the key properties of 9-aminopentadecanoic acid?
9-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 9-aminopentadecanoic acid is sourced from PubChem (CID 87304604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).