methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole

C14H23N — CID 145094985

IUPACmethane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
SMILESC.Cn1c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C13H19N.CH4/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;/h2-9H2,1H3;1H4
InChIKeyJSTJEASUDGQGHW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.42
Rot. Bonds

About methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole

methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole (PubChem CID 145094985) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole.

Molecular Properties

Compound Namemethane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
PubChem CID145094985
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Namemethane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
SMILESC.Cn1c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C13H19N.CH4/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;/h2-9H2,1H3;1H4
InChIKeyJSTJEASUDGQGHW-UHFFFAOYSA-N
XLogP3.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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10-methyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),3(11),4(9),13,15,17,19-heptaene-2,12-dione
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Frequently Asked Questions

What is the IUPAC name of methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole?
The IUPAC name of methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole (CID 145094985) is methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole.
What is the SMILES notation for methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole?
The canonical SMILES for methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole is C.Cn1c2c(c3c1CCCC3)CCCC2.
What is the InChIKey of methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole?
The InChIKey is JSTJEASUDGQGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.CH4/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;/h2-9H2,1H3;1H4.
What are the key properties of methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole?
methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole has a molecular weight of 205.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole is sourced from PubChem (CID 145094985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).