1,1-dimethyl-2,3,4,6-tetrahydrocarbazole

C14H17N — CID 175120340

IUPAC1,1-dimethyl-2,3,4,6-tetrahydrocarbazole
SMILESCC1(C)CCCC2=C1N=C1C=CCC=C12
InChIInChI=1S/C14H17N/c1-14(2)9-5-7-11-10-6-3-4-8-12(10)15-13(11)14/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyUISCQJMEWBFPAD-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.79
Rot. Bonds

About 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole

1,1-dimethyl-2,3,4,6-tetrahydrocarbazole (PubChem CID 175120340) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole.

Molecular Properties

Compound Name1,1-dimethyl-2,3,4,6-tetrahydrocarbazole
PubChem CID175120340
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1,1-dimethyl-2,3,4,6-tetrahydrocarbazole
SMILESCC1(C)CCCC2=C1N=C1C=CCC=C12
InChIInChI=1S/C14H17N/c1-14(2)9-5-7-11-10-6-3-4-8-12(10)15-13(11)14/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyUISCQJMEWBFPAD-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole?
The IUPAC name of 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole (CID 175120340) is 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole.
What is the SMILES notation for 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole?
The canonical SMILES for 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole is CC1(C)CCCC2=C1N=C1C=CCC=C12.
What is the InChIKey of 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole?
The InChIKey is UISCQJMEWBFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2)9-5-7-11-10-6-3-4-8-12(10)15-13(11)14/h4,6,8H,3,5,7,9H2,1-2H3.
What are the key properties of 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole?
1,1-dimethyl-2,3,4,6-tetrahydrocarbazole has a molecular weight of 199.30 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3,4,6-tetrahydrocarbazole is sourced from PubChem (CID 175120340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).