10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine

C13H23N — CID 170206995

IUPAC10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine
SMILESCC1CCCCCCC/N=C\1C1CC1
InChIInChI=1S/C13H23N/c1-11-7-5-3-2-4-6-10-14-13(11)12-8-9-12/h11-12H,2-10H2,1H3/b14-13+
InChIKeyVPPBMTGMXIZOEB-BUHFOSPRSA-N
MW193.33 g/mol
LogP3.83
Rot. Bonds1

About 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine

10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine (PubChem CID 170206995) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine.

Molecular Properties

Compound Name10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine
PubChem CID170206995
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine
SMILESCC1CCCCCCC/N=C\1C1CC1
InChIInChI=1S/C13H23N/c1-11-7-5-3-2-4-6-10-14-13(11)12-8-9-12/h11-12H,2-10H2,1H3/b14-13+
InChIKeyVPPBMTGMXIZOEB-BUHFOSPRSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
CID 137448239
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
3,7-dimethyl-3,3a,4,5,6,7-hexahydro-2H-indole
CID 123231555
3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 20586402
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611
gallane;methylcyclohexane
CID 174461507
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179
methylcyclopentane
CID 7296
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine?
The IUPAC name of 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine (CID 170206995) is 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine.
What is the SMILES notation for 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine?
The canonical SMILES for 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine is CC1CCCCCCC/N=C\1C1CC1.
What is the InChIKey of 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine?
The InChIKey is VPPBMTGMXIZOEB-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N/c1-11-7-5-3-2-4-6-10-14-13(11)12-8-9-12/h11-12H,2-10H2,1H3/b14-13+.
What are the key properties of 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine?
10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine has a molecular weight of 193.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine is sourced from PubChem (CID 170206995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).