2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole

C18H31N — CID 147468172

IUPAC2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
SMILESCC1CCC2C(C1)C1C3CCCCC3C(C)C1N2C
InChIInChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-14-7-5-4-6-13(14)12(2)18(17)19(16)3/h11-18H,4-10H2,1-3H3
InChIKeyBGHKYEZSZKEROZ-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.18
Rot. Bonds

About 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole

2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole (PubChem CID 147468172) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole.

Molecular Properties

Compound Name2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
PubChem CID147468172
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
SMILESCC1CCC2C(C1)C1C3CCCCC3C(C)C1N2C
InChIInChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-14-7-5-4-6-13(14)12(2)18(17)19(16)3/h11-18H,4-10H2,1-3H3
InChIKeyBGHKYEZSZKEROZ-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole with MolForge

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Related Compounds

5,8,10-trimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 149417686
6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane
CID 90704834
(2,6-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)-trimethylsilane
CID 162697767
carbanide;cyclopentyl-(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilane;dichlorozirconium(2+)
CID 162298567
cyclopentyl-[(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)methyl]-dimethylsilane
CID 59106104
(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
CID 59164897
cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 156623942
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
CID 166504670
CID 166504670
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
[5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane
CID 59164899
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The IUPAC name of 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole (CID 147468172) is 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole.
What is the SMILES notation for 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The canonical SMILES for 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole is CC1CCC2C(C1)C1C3CCCCC3C(C)C1N2C.
What is the InChIKey of 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The InChIKey is BGHKYEZSZKEROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-14-7-5-4-6-13(14)12(2)18(17)19(16)3/h11-18H,4-10H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole has a molecular weight of 261.45 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole is sourced from PubChem (CID 147468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).