N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline

C18H31NOSi — CID 102050161

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1C
InChIInChI=1S/C18H31NOSi/c1-8-16(19-17-12-10-9-11-15(17)2)13-14-20-21(6,7)18(3,4)5/h8-12,16,19H,1,13-14H2,2-7H3
InChIKeyCDBMLIUZSZAZCU-UHFFFAOYSA-N
MW305.54 g/mol
LogP5.37
Rot. Bonds7

About N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline

N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline (PubChem CID 102050161) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline
PubChem CID102050161
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1C
InChIInChI=1S/C18H31NOSi/c1-8-16(19-17-12-10-9-11-15(17)2)13-14-20-21(6,7)18(3,4)5/h8-12,16,19H,1,13-14H2,2-7H3
InChIKeyCDBMLIUZSZAZCU-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
N-but-3-en-2-yl-2-methylaniline
CID 14765790
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-2-amine
CID 129009830
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate
CID 11783543
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline (CID 102050161) is N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline is C=CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1C.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline?
The InChIKey is CDBMLIUZSZAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-8-16(19-17-12-10-9-11-15(17)2)13-14-20-21(6,7)18(3,4)5/h8-12,16,19H,1,13-14H2,2-7H3.
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline?
N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline has a molecular weight of 305.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline is sourced from PubChem (CID 102050161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).