2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde

C9H12N2O — CID 123830192

IUPAC2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
SMILESCC1CC=CC=C(C=O)/N=C\1N
InChIInChI=1S/C9H12N2O/c1-7-4-2-3-5-8(6-12)11-9(7)10/h2-3,5-7H,4H2,1H3,(H2,10,11)
InChIKeyMGNAUZZRGRPLBB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.02
Rot. Bonds1

About 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde

2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde (PubChem CID 123830192) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde.

Molecular Properties

Compound Name2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
PubChem CID123830192
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
SMILESCC1CC=CC=C(C=O)/N=C\1N
InChIInChI=1S/C9H12N2O/c1-7-4-2-3-5-8(6-12)11-9(7)10/h2-3,5-7H,4H2,1H3,(H2,10,11)
InChIKeyMGNAUZZRGRPLBB-UHFFFAOYSA-N
XLogP1.02
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3,4-dihydropyridin-2-amine
CID 146237625
6-methylcyclohexa-1,3-diene-1-carboxamide
CID 55289117
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
CID 143459698
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde
CID 176526109
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 163656047
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde?
The IUPAC name of 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde (CID 123830192) is 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde.
What is the SMILES notation for 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde?
The canonical SMILES for 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde is CC1CC=CC=C(C=O)/N=C\1N.
What is the InChIKey of 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde?
The InChIKey is MGNAUZZRGRPLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-2-3-5-8(6-12)11-9(7)10/h2-3,5-7H,4H2,1H3,(H2,10,11).
What are the key properties of 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde?
2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde is sourced from PubChem (CID 123830192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).