nonan-1-amine;octanoic acid

C17H37NO2 — CID 173305538

IUPACnonan-1-amine;octanoic acid
SMILESCCCCCCCC(=O)O.CCCCCCCCCN
InChIInChI=1S/C9H21N.C8H16O2/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8(9)10/h2-10H2,1H3;2-7H2,1H3,(H,9,10)
InChIKeyLZVMFNHENSNEHV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.13
Rot. Bonds13

About nonan-1-amine;octanoic acid

nonan-1-amine;octanoic acid (PubChem CID 173305538) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is nonan-1-amine;octanoic acid.

Molecular Properties

Compound Namenonan-1-amine;octanoic acid
PubChem CID173305538
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Namenonan-1-amine;octanoic acid
SMILESCCCCCCCC(=O)O.CCCCCCCCCN
InChIInChI=1S/C9H21N.C8H16O2/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8(9)10/h2-10H2,1H3;2-7H2,1H3,(H,9,10)
InChIKeyLZVMFNHENSNEHV-UHFFFAOYSA-N
XLogP5.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nonan-1-amine;octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecanoic acid;pentan-1-amine
CID 161401164
decan-1-amine;dodecanoic acid
CID 173305256
octadecanoic acid;pentadecan-1-amine
CID 174740594
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000
5-aminopentan-1-ol;octanoic acid
CID 21259313
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
11-aminoundecanoic acid;ethane
CID 144914161

Frequently Asked Questions

What is the IUPAC name of nonan-1-amine;octanoic acid?
The IUPAC name of nonan-1-amine;octanoic acid (CID 173305538) is nonan-1-amine;octanoic acid.
What is the SMILES notation for nonan-1-amine;octanoic acid?
The canonical SMILES for nonan-1-amine;octanoic acid is CCCCCCCC(=O)O.CCCCCCCCCN.
What is the InChIKey of nonan-1-amine;octanoic acid?
The InChIKey is LZVMFNHENSNEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H16O2/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8(9)10/h2-10H2,1H3;2-7H2,1H3,(H,9,10).
What are the key properties of nonan-1-amine;octanoic acid?
nonan-1-amine;octanoic acid has a molecular weight of 287.49 g/mol, XLogP of 5.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-1-amine;octanoic acid is sourced from PubChem (CID 173305538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).