4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine

C18H31NSi2 — CID 87262698

IUPAC4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine
SMILESC[Si](C)(C)N(C1CC=C(c2ccccc2)CC1)[Si](C)(C)C
InChIInChI=1S/C18H31NSi2/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-12,18H,13-15H2,1-6H3
InChIKeyJKRQWRAZIDTFIJ-UHFFFAOYSA-N
MW317.62 g/mol
LogP5.59
Rot. Bonds4

About 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine

4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine (PubChem CID 87262698) has the molecular formula C18H31NSi2 and a molecular weight of 317.62 g/mol. Its IUPAC name is 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine
PubChem CID87262698
Molecular FormulaC18H31NSi2
Molecular Weight317.62 g/mol
Exact Mass317.20
IUPAC Name4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine
SMILESC[Si](C)(C)N(C1CC=C(c2ccccc2)CC1)[Si](C)(C)C
InChIInChI=1S/C18H31NSi2/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-12,18H,13-15H2,1-6H3
InChIKeyJKRQWRAZIDTFIJ-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.62
LogP ≤ 55.59
H-Bond Donors ≤ 50
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 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine (CID 87262698) is 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine is C[Si](C)(C)N(C1CC=C(c2ccccc2)CC1)[Si](C)(C)C.
What is the InChIKey of 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine?
The InChIKey is JKRQWRAZIDTFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NSi2/c1-20(2,3)19(21(4,5)6)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-12,18H,13-15H2,1-6H3.
What are the key properties of 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine?
4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine has a molecular weight of 317.62 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 87262698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).