N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine

C27H35NSi — CID 123774727

IUPACN-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine
SMILESCC1=C(C)C(C)C(N(C2CCCCC2)[SiH](c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C27H35NSi/c1-20-21(2)23(4)27(22(20)3)28(24-14-8-5-9-15-24)29(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h6-7,10-13,16-19,22,24,29H,5,8-9,14-15H2,1-4H3
InChIKeyALTHJGIPNPXTQX-UHFFFAOYSA-N
MW401.67 g/mol
LogP5.42
Rot. Bonds5

About N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine

N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine (PubChem CID 123774727) has the molecular formula C27H35NSi and a molecular weight of 401.67 g/mol. Its IUPAC name is N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine.

Molecular Properties

Compound NameN-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine
PubChem CID123774727
Molecular FormulaC27H35NSi
Molecular Weight401.67 g/mol
Exact Mass401.25
IUPAC NameN-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine
SMILESCC1=C(C)C(C)C(N(C2CCCCC2)[SiH](c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C27H35NSi/c1-20-21(2)23(4)27(22(20)3)28(24-14-8-5-9-15-24)29(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h6-7,10-13,16-19,22,24,29H,5,8-9,14-15H2,1-4H3
InChIKeyALTHJGIPNPXTQX-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.67
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-[(dicyclopentylamino)-phenylsilyl]cyclopentanamine
CID 123155906
N,N-dibenzhydrylcyclohexanamine
CID 139723956
cyclohexyl-(2-methylphenyl)carbamic acid
CID 151470608
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
benzene;N,N-dimethylcyclohexanamine
CID 142054055
N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline
CID 123743230
cyclohexene;methylcyclohexane;toluene
CID 158972627
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N-cyclohexyl-N-fluoroaniline
CID 139617902
CID 70306336
CID 70306336
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279

Frequently Asked Questions

What is the IUPAC name of N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine?
The IUPAC name of N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine (CID 123774727) is N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine.
What is the SMILES notation for N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine?
The canonical SMILES for N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine is CC1=C(C)C(C)C(N(C2CCCCC2)[SiH](c2ccccc2)c2ccccc2)=C1C.
What is the InChIKey of N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine?
The InChIKey is ALTHJGIPNPXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NSi/c1-20-21(2)23(4)27(22(20)3)28(24-14-8-5-9-15-24)29(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h6-7,10-13,16-19,22,24,29H,5,8-9,14-15H2,1-4H3.
What are the key properties of N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine?
N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine has a molecular weight of 401.67 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylsilyl-N-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclohexanamine is sourced from PubChem (CID 123774727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).