2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile

C15H29NSi — CID 102254089

IUPAC2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile
SMILESCC(C)[Si](CC1CCC1C#N)(C(C)C)C(C)C
InChIInChI=1S/C15H29NSi/c1-11(2)17(12(3)4,13(5)6)10-15-8-7-14(15)9-16/h11-15H,7-8,10H2,1-6H3
InChIKeyUNYABJGUDNEPKO-UHFFFAOYSA-N
MW251.49 g/mol
LogP5.21
Rot. Bonds5

About 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile

2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile (PubChem CID 102254089) has the molecular formula C15H29NSi and a molecular weight of 251.49 g/mol. Its IUPAC name is 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile
PubChem CID102254089
Molecular FormulaC15H29NSi
Molecular Weight251.49 g/mol
Exact Mass251.21
IUPAC Name2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile
SMILESCC(C)[Si](CC1CCC1C#N)(C(C)C)C(C)C
InChIInChI=1S/C15H29NSi/c1-11(2)17(12(3)4,13(5)6)10-15-8-7-14(15)9-16/h11-15H,7-8,10H2,1-6H3
InChIKeyUNYABJGUDNEPKO-UHFFFAOYSA-N
XLogP5.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)cyclobutane-1-carbonitrile
CID 13129688
2-propan-2-ylcyclobutane-1-carbonitrile
CID 122449449
cyclohexane-1,2,3,4-tetracarbonitrile
CID 87163155
trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
CID 101207318
4-methyl-2-propylcyclohexane-1-carbonitrile
CID 142857903
cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
CID 134504917
2-methylcyclobutane-1-carbonitrile
CID 105426925
2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
CID 68839598
2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile
CID 138580085
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
3-ethylpiperidine-4-carbonitrile
CID 121200011
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
CID 89002737

Frequently Asked Questions

What is the IUPAC name of 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile (CID 102254089) is 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile is CC(C)[Si](CC1CCC1C#N)(C(C)C)C(C)C.
What is the InChIKey of 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile?
The InChIKey is UNYABJGUDNEPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NSi/c1-11(2)17(12(3)4,13(5)6)10-15-8-7-14(15)9-16/h11-15H,7-8,10H2,1-6H3.
What are the key properties of 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile?
2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile has a molecular weight of 251.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 102254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).