2-(3-methylazocan-5-yl)acetaldehyde

C10H19NO — CID 170064553

IUPAC2-(3-methylazocan-5-yl)acetaldehyde
SMILESCC1CNCCCC(CC=O)C1
InChIInChI=1S/C10H19NO/c1-9-7-10(4-6-12)3-2-5-11-8-9/h6,9-11H,2-5,7-8H2,1H3
InChIKeyWAXDGSBVRPJSFF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(3-methylazocan-5-yl)acetaldehyde

2-(3-methylazocan-5-yl)acetaldehyde (PubChem CID 170064553) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-methylazocan-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methylazocan-5-yl)acetaldehyde
PubChem CID170064553
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(3-methylazocan-5-yl)acetaldehyde
SMILESCC1CNCCCC(CC=O)C1
InChIInChI=1S/C10H19NO/c1-9-7-10(4-6-12)3-2-5-11-8-9/h6,9-11H,2-5,7-8H2,1H3
InChIKeyWAXDGSBVRPJSFF-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-piperidin-3-ylpent-3-enal
CID 117267797
ethane;(3S)-3-methylpiperidine
CID 144634573
ethane;3-methylpiperidine;hydrate
CID 142361877
methanamine;3-methylpiperidine
CID 178081150
2-piperidin-4-ylacetaldehyde
CID 23401441
3-methyl-N-[[(3R)-piperidin-3-yl]methyl]cyclobutan-1-amine
CID 130522929
3-methylazepane
CID 14291801
N-(2,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 63998775
formamide;3-methylpyrrolidine
CID 143474557
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazocan-5-yl)acetaldehyde?
The IUPAC name of 2-(3-methylazocan-5-yl)acetaldehyde (CID 170064553) is 2-(3-methylazocan-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methylazocan-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-methylazocan-5-yl)acetaldehyde is CC1CNCCCC(CC=O)C1.
What is the InChIKey of 2-(3-methylazocan-5-yl)acetaldehyde?
The InChIKey is WAXDGSBVRPJSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-7-10(4-6-12)3-2-5-11-8-9/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 2-(3-methylazocan-5-yl)acetaldehyde?
2-(3-methylazocan-5-yl)acetaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazocan-5-yl)acetaldehyde is sourced from PubChem (CID 170064553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).