3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride

C18H25ClN2 — CID 3045519

IUPAC3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride
SMILESCC1(C)Cc2[nH]c3ccccc3c2C2(CCCCC2)N1.Cl
InChIInChI=1S/C18H24N2.ClH/c1-17(2)12-15-16(13-8-4-5-9-14(13)19-15)18(20-17)10-6-3-7-11-18;/h4-5,8-9,19-20H,3,6-7,10-12H2,1-2H3;1H
InChIKeyBROSITQDRSGFPN-UHFFFAOYSA-N
MW304.86 g/mol
LogP4.67
Rot. Bonds

About 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride

3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride (PubChem CID 3045519) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride.

Molecular Properties

Compound Name3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride
PubChem CID3045519
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride
SMILESCC1(C)Cc2[nH]c3ccccc3c2C2(CCCCC2)N1.Cl
InChIInChI=1S/C18H24N2.ClH/c1-17(2)12-15-16(13-8-4-5-9-14(13)19-15)18(20-17)10-6-3-7-11-18;/h4-5,8-9,19-20H,3,6-7,10-12H2,1-2H3;1H
InChIKeyBROSITQDRSGFPN-UHFFFAOYSA-N
XLogP4.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride with MolForge

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Related Compounds

1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride
CID 3045520
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
CID 23266875
(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
CID 134909159
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91059771
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
10,10-dimethyl-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraene
CID 162398909
2-(1-methylcycloheptyl)-1H-indole
CID 173176974
2,2-diiodo-1,9-dihydrocarbazole
CID 174605244

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride?
The IUPAC name of 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride (CID 3045519) is 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride.
What is the SMILES notation for 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride?
The canonical SMILES for 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride is CC1(C)Cc2[nH]c3ccccc3c2C2(CCCCC2)N1.Cl.
What is the InChIKey of 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride?
The InChIKey is BROSITQDRSGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.ClH/c1-17(2)12-15-16(13-8-4-5-9-14(13)19-15)18(20-17)10-6-3-7-11-18;/h4-5,8-9,19-20H,3,6-7,10-12H2,1-2H3;1H.
What are the key properties of 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride?
3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride is sourced from PubChem (CID 3045519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).