6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine

C13H24N2 — CID 140870242

IUPAC6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine
SMILESC=CCC1CNC2NCCC(C)CC2C1
InChIInChI=1S/C13H24N2/c1-3-4-11-8-12-7-10(2)5-6-14-13(12)15-9-11/h3,10-15H,1,4-9H2,2H3
InChIKeyZCOIOVPCALUGBD-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.13
Rot. Bonds2

About 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine

6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine (PubChem CID 140870242) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine
PubChem CID140870242
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine
SMILESC=CCC1CNC2NCCC(C)CC2C1
InChIInChI=1S/C13H24N2/c1-3-4-11-8-12-7-10(2)5-6-14-13(12)15-9-11/h3,10-15H,1,4-9H2,2H3
InChIKeyZCOIOVPCALUGBD-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine?
The IUPAC name of 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine (CID 140870242) is 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine.
What is the SMILES notation for 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine?
The canonical SMILES for 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine is C=CCC1CNC2NCCC(C)CC2C1.
What is the InChIKey of 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine?
The InChIKey is ZCOIOVPCALUGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-11-8-12-7-10(2)5-6-14-13(12)15-9-11/h3,10-15H,1,4-9H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine?
6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine has a molecular weight of 208.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-b]azepine is sourced from PubChem (CID 140870242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).