2-aminooctanal

C8H17NO — CID 54076326

IUPAC2-aminooctanal
SMILESCCCCCCC(N)C=O
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h7-8H,2-6,9H2,1H3
InChIKeyMJYSJBBLXCTJAM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds6

About 2-aminooctanal

2-aminooctanal (PubChem CID 54076326) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-aminooctanal.

Molecular Properties

Compound Name2-aminooctanal
PubChem CID54076326
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-aminooctanal
SMILESCCCCCCC(N)C=O
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h7-8H,2-6,9H2,1H3
InChIKeyMJYSJBBLXCTJAM-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175546884
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CID 87784106
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
(2S)-2-fluorohexadecanal
CID 134857256
2-methyldec-2-en-4-amine
CID 59335300
2-ethenyltridecanal
CID 88845496
4-aminopentadecanal
CID 91108576
acetic acid;heptatriacontan-19-amine
CID 173373447
2-ethylheptadecanal
CID 18629573

Frequently Asked Questions

What is the IUPAC name of 2-aminooctanal?
The IUPAC name of 2-aminooctanal (CID 54076326) is 2-aminooctanal.
What is the SMILES notation for 2-aminooctanal?
The canonical SMILES for 2-aminooctanal is CCCCCCC(N)C=O.
What is the InChIKey of 2-aminooctanal?
The InChIKey is MJYSJBBLXCTJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-aminooctanal?
2-aminooctanal has a molecular weight of 143.23 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooctanal is sourced from PubChem (CID 54076326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).