N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine

C17H36N2OSi — CID 10805103

IUPACN-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C1\CCCC1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2OSi/c1-17(2,3)21(6,7)20-14-9-8-11-15-12-10-13-16(15)18-19(4)5/h15H,8-14H2,1-7H3/b18-16+
InChIKeyXSXGVBUMAJLACT-FBMGVBCBSA-N
MW312.57 g/mol
LogP4.90
Rot. Bonds7

About N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine

N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine (PubChem CID 10805103) has the molecular formula C17H36N2OSi and a molecular weight of 312.57 g/mol. Its IUPAC name is N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
PubChem CID10805103
Molecular FormulaC17H36N2OSi
Molecular Weight312.57 g/mol
Exact Mass312.26
IUPAC NameN-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C1\CCCC1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2OSi/c1-17(2,3)21(6,7)20-14-9-8-11-15-12-10-13-16(15)18-19(4)5/h15H,8-14H2,1-7H3/b18-16+
InChIKeyXSXGVBUMAJLACT-FBMGVBCBSA-N
XLogP4.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine
CID 11068243
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
N-benzyl-2-[(1S,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylidenecyclobutyl]-N-methylethanamine
CID 177429733

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine (CID 10805103) is N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine is CN(C)/N=C1\CCCC1CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine?
The InChIKey is XSXGVBUMAJLACT-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H36N2OSi/c1-17(2,3)21(6,7)20-14-9-8-11-15-12-10-13-16(15)18-19(4)5/h15H,8-14H2,1-7H3/b18-16+.
What are the key properties of N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine?
N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine has a molecular weight of 312.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 10805103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).