2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde

C13H23NO — CID 20655773

IUPAC2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
SMILESCC(C)CC(C)N1CC=CCC1CC=O
InChIInChI=1S/C13H23NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,9,11-13H,6-8,10H2,1-3H3
InChIKeyZCAGTGBNDALGCV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde

2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde (PubChem CID 20655773) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
PubChem CID20655773
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
SMILESCC(C)CC(C)N1CC=CCC1CC=O
InChIInChI=1S/C13H23NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,9,11-13H,6-8,10H2,1-3H3
InChIKeyZCAGTGBNDALGCV-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
1-methyl-6-propan-2-yl-3,6-dihydro-2H-pyridine-5-carbaldehyde
CID 53700082
1-But-3-en-2-ylpiperidine-3-carbaldehyde
CID 62654924
8-[Ethyl(methyl)amino]-2-methyloct-6-enal
CID 90938345
2-[[Cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]methyl]butanal
CID 142850897
Ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde
CID 143768006
diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 157343265
(2S,3S)-3-methyl-2-[methyl-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]amino]pentanal
CID 163936481
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366
6-(Dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
CID 174374900
6-(Dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174375463
5-(Dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174376632

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The IUPAC name of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde (CID 20655773) is 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde is CC(C)CC(C)N1CC=CCC1CC=O.
What is the InChIKey of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The InChIKey is ZCAGTGBNDALGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,9,11-13H,6-8,10H2,1-3H3.
What are the key properties of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde has a molecular weight of 209.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde is sourced from PubChem (CID 20655773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).