N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine

C17H34N2OSi — CID 10614928

IUPACN-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
SMILESCC(C)C(C)(C)[Si](C)(C)OC1=CC(/C=N/N(C)C)CCC1
InChIInChI=1S/C17H34N2OSi/c1-14(2)17(3,4)21(7,8)20-16-11-9-10-15(12-16)13-18-19(5)6/h12-15H,9-11H2,1-8H3/b18-13+
InChIKeyGYCJVYZMXSDUQD-QGOAFFKASA-N
MW310.56 g/mol
LogP4.88
Rot. Bonds6

About N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine

N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine (PubChem CID 10614928) has the molecular formula C17H34N2OSi and a molecular weight of 310.56 g/mol. Its IUPAC name is N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
PubChem CID10614928
Molecular FormulaC17H34N2OSi
Molecular Weight310.56 g/mol
Exact Mass310.24
IUPAC NameN-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
SMILESCC(C)C(C)(C)[Si](C)(C)OC1=CC(/C=N/N(C)C)CCC1
InChIInChI=1S/C17H34N2OSi/c1-14(2)17(3,4)21(7,8)20-16-11-9-10-15(12-16)13-18-19(5)6/h12-15H,9-11H2,1-8H3/b18-13+
InChIKeyGYCJVYZMXSDUQD-QGOAFFKASA-N
XLogP4.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine (CID 10614928) is N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine is CC(C)C(C)(C)[Si](C)(C)OC1=CC(/C=N/N(C)C)CCC1.
What is the InChIKey of N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The InChIKey is GYCJVYZMXSDUQD-QGOAFFKASA-N. The full InChI is InChI=1S/C17H34N2OSi/c1-14(2)17(3,4)21(7,8)20-16-11-9-10-15(12-16)13-18-19(5)6/h12-15H,9-11H2,1-8H3/b18-13+.
What are the key properties of N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine has a molecular weight of 310.56 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 10614928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).