N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine

C22H42N2Si — CID 59061993

IUPACN-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C22H42N2Si/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4/h15-21,23H,7-14H2,1-6H3
InChIKeyYNNHVHQGNKOPSP-UHFFFAOYSA-N
MW362.68 g/mol
LogP5.39
Rot. Bonds2

About N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine

N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine (PubChem CID 59061993) has the molecular formula C22H42N2Si and a molecular weight of 362.68 g/mol. Its IUPAC name is N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine
PubChem CID59061993
Molecular FormulaC22H42N2Si
Molecular Weight362.68 g/mol
Exact Mass362.31
IUPAC NameN-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C22H42N2Si/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4/h15-21,23H,7-14H2,1-6H3
InChIKeyYNNHVHQGNKOPSP-UHFFFAOYSA-N
XLogP5.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.68
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine (CID 59061993) is N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine is CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)NC(C)(C)C.
What is the InChIKey of N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is YNNHVHQGNKOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2Si/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4/h15-21,23H,7-14H2,1-6H3.
What are the key properties of N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine?
N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 362.68 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59061993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).