acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine

C17H30N2O2 — CID 71328789

IUPACacetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
SMILESCC(=O)O.CCCCCCCCNCCc1ccccn1
InChIInChI=1S/C15H26N2.C2H4O2/c1-2-3-4-5-6-8-12-16-14-11-15-10-7-9-13-17-15;1-2(3)4/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3;1H3,(H,3,4)
InChIKeyHLABPQWVIFQGOX-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.67
Rot. Bonds10

About acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine

acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine (PubChem CID 71328789) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine.

Molecular Properties

Compound Nameacetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
PubChem CID71328789
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameacetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
SMILESCC(=O)O.CCCCCCCCNCCc1ccccn1
InChIInChI=1S/C15H26N2.C2H4O2/c1-2-3-4-5-6-8-12-16-14-11-15-10-7-9-13-17-15;1-2(3)4/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3;1H3,(H,3,4)
InChIKeyHLABPQWVIFQGOX-UHFFFAOYSA-N
XLogP3.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-propylpyridine;hydrobromide
CID 70094168
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
2-undecylpyridine
CID 66882765
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
azanium;2-tetradecylpyridine;bromide
CID 157411341
hydroxymethanone;2-undecylpyridine;zinc
CID 87363330
acetic acid;2-ethylpyridine
CID 70072313
2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
2-hexylpyridine;nitric acid
CID 174876958
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine?
The IUPAC name of acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine (CID 71328789) is acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine.
What is the SMILES notation for acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine?
The canonical SMILES for acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine is CC(=O)O.CCCCCCCCNCCc1ccccn1.
What is the InChIKey of acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine?
The InChIKey is HLABPQWVIFQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.C2H4O2/c1-2-3-4-5-6-8-12-16-14-11-15-10-7-9-13-17-15;1-2(3)4/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine?
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine is sourced from PubChem (CID 71328789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).