2-aminobenzaldehyde;2,6-dimethylpiperidine

C14H22N2O — CID 174386863

IUPAC2-aminobenzaldehyde;2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1.Nc1ccccc1C=O
InChIInChI=1S/C7H7NO.C7H15N/c8-7-4-2-1-3-6(7)5-9;1-6-4-3-5-7(2)8-6/h1-5H,8H2;6-8H,3-5H2,1-2H3
InChIKeyUDCZDPOCTMWVNJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds1

About 2-aminobenzaldehyde;2,6-dimethylpiperidine

2-aminobenzaldehyde;2,6-dimethylpiperidine (PubChem CID 174386863) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-aminobenzaldehyde;2,6-dimethylpiperidine.

Molecular Properties

Compound Name2-aminobenzaldehyde;2,6-dimethylpiperidine
PubChem CID174386863
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-aminobenzaldehyde;2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1.Nc1ccccc1C=O
InChIInChI=1S/C7H7NO.C7H15N/c8-7-4-2-1-3-6(7)5-9;1-6-4-3-5-7(2)8-6/h1-5H,8H2;6-8H,3-5H2,1-2H3
InChIKeyUDCZDPOCTMWVNJ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040
2-chloroethenylbenzene;2,6-dimethylpiperidine
CID 174658735
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
3-amino-2-ethylbenzaldehyde
CID 22259616
2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
CID 76782314
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
2-cyclodecylbenzaldehyde
CID 142358507
3-amino-2-fluorobenzaldehyde
CID 55282197
2-aminobenzaldehyde;2-bromobenzenesulfonic acid
CID 175498765
(3S,5R)-3-(2-aminophenyl)-5-methylpyrrolidin-2-one
CID 97355958

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzaldehyde;2,6-dimethylpiperidine?
The IUPAC name of 2-aminobenzaldehyde;2,6-dimethylpiperidine (CID 174386863) is 2-aminobenzaldehyde;2,6-dimethylpiperidine.
What is the SMILES notation for 2-aminobenzaldehyde;2,6-dimethylpiperidine?
The canonical SMILES for 2-aminobenzaldehyde;2,6-dimethylpiperidine is CC1CCCC(C)N1.Nc1ccccc1C=O.
What is the InChIKey of 2-aminobenzaldehyde;2,6-dimethylpiperidine?
The InChIKey is UDCZDPOCTMWVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C7H15N/c8-7-4-2-1-3-6(7)5-9;1-6-4-3-5-7(2)8-6/h1-5H,8H2;6-8H,3-5H2,1-2H3.
What are the key properties of 2-aminobenzaldehyde;2,6-dimethylpiperidine?
2-aminobenzaldehyde;2,6-dimethylpiperidine has a molecular weight of 234.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzaldehyde;2,6-dimethylpiperidine is sourced from PubChem (CID 174386863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).