(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane

C21H36N2Si — CID 76844244

IUPAC(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
SMILESC[Si](C)(C1CC(C2CCCCC2)C2C=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H36N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h6-7,10-11,17-22H,3-5,8-9,12-16H2,1-2H3
InChIKeyCFNKOJZRAGRUDP-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.43
Rot. Bonds3

About (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane

(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane (PubChem CID 76844244) has the molecular formula C21H36N2Si and a molecular weight of 344.62 g/mol. Its IUPAC name is (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane.

Molecular Properties

Compound Name(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
PubChem CID76844244
Molecular FormulaC21H36N2Si
Molecular Weight344.62 g/mol
Exact Mass344.26
IUPAC Name(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
SMILESC[Si](C)(C1CC(C2CCCCC2)C2C=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H36N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h6-7,10-11,17-22H,3-5,8-9,12-16H2,1-2H3
InChIKeyCFNKOJZRAGRUDP-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
CID 58634910
(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
CID 58634112
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
(1S)-3-[dimethyl(1,3,5-triazinan-1-yl)silyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
CID 58634914
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
CID 76843825
carbanide;dichlorotitanium;dimethyl-[(3S)-3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane
CID 58634315
trimethyl-(3-trimethylsilyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 123227996
(2-cyclohexylcyclopropyl)-piperazin-1-ylmethanone
CID 119400440
(2-methylcyclopropyl)cyclooctane
CID 19768877
2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123436446
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-chloro-dimethylsilane
CID 19348914
3-cyclohexyl-4-methylpiperidine
CID 84718579

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The IUPAC name of (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane (CID 76844244) is (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane.
What is the SMILES notation for (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The canonical SMILES for (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane is C[Si](C)(C1CC(C2CCCCC2)C2C=CC=CC21)N1CCNCC1.
What is the InChIKey of (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The InChIKey is CFNKOJZRAGRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h6-7,10-11,17-22H,3-5,8-9,12-16H2,1-2H3.
What are the key properties of (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane has a molecular weight of 344.62 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane is sourced from PubChem (CID 76844244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).