N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine

C20H29NOSi — CID 58911416

IUPACN-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(O[Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H29NOSi/c1-7-14-21-15-16-12-13-19(18-11-9-8-10-17(16)18)22-23(5,6)20(2,3)4/h7-13,21H,1,14-15H2,2-6H3
InChIKeyUAPBPSRAYCIVQB-UHFFFAOYSA-N
MW327.54 g/mol
LogP5.50
Rot. Bonds6

About N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine

N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine (PubChem CID 58911416) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine
PubChem CID58911416
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC NameN-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(O[Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H29NOSi/c1-7-14-21-15-16-12-13-19(18-11-9-8-10-17(16)18)22-23(5,6)20(2,3)4/h7-13,21H,1,14-15H2,2-6H3
InChIKeyUAPBPSRAYCIVQB-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
4-Methoxy-N-[(2-methoxyphenyl)methyl]-1-naphthalenemethanamine
CID 791864
1-[(Cyclohexylmethylamino)methyl]naphthalen-2-ol
CID 43371473
1,5-Bis[(butan-2-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531443
1,5-Bis[(heptylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531454
1,5-Bis[(hexylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531456
1,5-Bis(propylaminomethyl)naphthalene-2,6-diol;hydrochloride
CID 44531458
1-[(2-Cyclohexylethylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531478
1-[(Octylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531480
1-[(Cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531482
1-{2-Methyl-1-[(1-phenylethyl)amino]propyl}-2-naphthol
CID 1820162
1-[(3-Methylbutylamino)methyl]naphthalen-2-ol
CID 28449069

Frequently Asked Questions

What is the IUPAC name of N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine (CID 58911416) is N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine is C=CCNCc1ccc(O[Si](C)(C)C(C)(C)C)c2ccccc12.
What is the InChIKey of N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is UAPBPSRAYCIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-7-14-21-15-16-12-13-19(18-11-9-8-10-17(16)18)22-23(5,6)20(2,3)4/h7-13,21H,1,14-15H2,2-6H3.
What are the key properties of N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine?
N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 327.54 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 58911416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).