N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine

C22H45NSi — CID 165155302

IUPACN-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine
SMILESCC1CC([Si](C)(C)NC2CCCCCCCCCCC2)C(C)C1C
InChIInChI=1S/C22H45NSi/c1-18-17-22(20(3)19(18)2)24(4,5)23-21-15-13-11-9-7-6-8-10-12-14-16-21/h18-23H,6-17H2,1-5H3
InChIKeyVUFDJDIQZMATKE-UHFFFAOYSA-N
MW351.70 g/mol
LogP7.14
Rot. Bonds3

About N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine

N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine (PubChem CID 165155302) has the molecular formula C22H45NSi and a molecular weight of 351.70 g/mol. Its IUPAC name is N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine.

Molecular Properties

Compound NameN-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine
PubChem CID165155302
Molecular FormulaC22H45NSi
Molecular Weight351.70 g/mol
Exact Mass351.33
IUPAC NameN-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine
SMILESCC1CC([Si](C)(C)NC2CCCCCCCCCCC2)C(C)C1C
InChIInChI=1S/C22H45NSi/c1-18-17-22(20(3)19(18)2)24(4,5)23-21-15-13-11-9-7-6-8-10-12-14-16-21/h18-23H,6-17H2,1-5H3
InChIKeyVUFDJDIQZMATKE-UHFFFAOYSA-N
XLogP7.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.70
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine?
The IUPAC name of N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine (CID 165155302) is N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine.
What is the SMILES notation for N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine?
The canonical SMILES for N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine is CC1CC([Si](C)(C)NC2CCCCCCCCCCC2)C(C)C1C.
What is the InChIKey of N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine?
The InChIKey is VUFDJDIQZMATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NSi/c1-18-17-22(20(3)19(18)2)24(4,5)23-21-15-13-11-9-7-6-8-10-12-14-16-21/h18-23H,6-17H2,1-5H3.
What are the key properties of N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine?
N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine has a molecular weight of 351.70 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2,3,4-trimethylcyclopentyl)silyl]cyclododecanamine is sourced from PubChem (CID 165155302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).