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

C15H30N2OSi — CID 10731641

IUPACN-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C15H30N2OSi/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)12-16-17(4)5/h11-13H,8-10H2,1-7H3/b16-12+
InChIKeyDUTJMVDYEFBGCO-FOWTUZBSSA-N
MW282.50 g/mol
LogP4.24
Rot. Bonds4

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

N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine (PubChem CID 10731641) has the molecular formula C15H30N2OSi and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
PubChem CID10731641
Molecular FormulaC15H30N2OSi
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C15H30N2OSi/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)12-16-17(4)5/h11-13H,8-10H2,1-7H3/b16-12+
InChIKeyDUTJMVDYEFBGCO-FOWTUZBSSA-N
XLogP4.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.24
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-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine (CID 10731641) is N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine is CN(C)/N=C/C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
The InChIKey is DUTJMVDYEFBGCO-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H30N2OSi/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)12-16-17(4)5/h11-13H,8-10H2,1-7H3/b16-12+.
What are the key properties of N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine?
N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine has a molecular weight of 282.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 10731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).