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

C18H31N — CID 149417686

IUPAC5,8,10-trimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1C(C)C3CCCCC3C1N2C
InChIInChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-12(2)13-6-4-5-7-14(13)18(17)19(16)3/h11-18H,4-10H2,1-3H3
InChIKeyNHLLRQYGNAYMAH-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.18
Rot. Bonds

About 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

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 (PubChem CID 149417686) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,8,10-trimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
PubChem CID149417686
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name5,8,10-trimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1C(C)C3CCCCC3C1N2C
InChIInChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-12(2)13-6-4-5-7-14(13)18(17)19(16)3/h11-18H,4-10H2,1-3H3
InChIKeyNHLLRQYGNAYMAH-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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC2C(C1)C1C(C)C3CCCCC3C1N2C.
What is the InChIKey of 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?
The InChIKey is NHLLRQYGNAYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-11-8-9-16-15(10-11)17-12(2)13-6-4-5-7-14(13)18(17)19(16)3/h11-18H,4-10H2,1-3H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 149417686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).