N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine

C22H33NSi — CID 164678515

IUPACN-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine
SMILESC=CCC1(CN(CC)CC)C=C/C(=C\[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C22H33NSi/c1-7-15-22(18-23(8-2)9-3)16-14-19(17-24(4,5)6)20-12-10-11-13-21(20)22/h7,10-14,16-17H,1,8-9,15,18H2,2-6H3/b19-17+
InChIKeyPJSZFGXAQAGIGE-HTXNQAPBSA-N
MW339.60 g/mol
LogP5.67
Rot. Bonds7

About N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine

N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine (PubChem CID 164678515) has the molecular formula C22H33NSi and a molecular weight of 339.60 g/mol. Its IUPAC name is N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine
PubChem CID164678515
Molecular FormulaC22H33NSi
Molecular Weight339.60 g/mol
Exact Mass339.24
IUPAC NameN-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine
SMILESC=CCC1(CN(CC)CC)C=C/C(=C\[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C22H33NSi/c1-7-15-22(18-23(8-2)9-3)16-14-19(17-24(4,5)6)20-12-10-11-13-21(20)22/h7,10-14,16-17H,1,8-9,15,18H2,2-6H3/b19-17+
InChIKeyPJSZFGXAQAGIGE-HTXNQAPBSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.60
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
CID 164679289
3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
trimethyl-(9-prop-2-enylfluoren-9-yl)oxysilane
CID 71366117
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
9-prop-2-enyl-9-tridecan-2-ylfluorene
CID 91582578
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
propane;spiro[fluorene-9,3'-oxetane]
CID 144874508
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
9-prop-2-enyl-9-undec-2-enylfluorene
CID 91593860
9-prop-2-enyl-9-tridec-2-enylfluorene
CID 91376717

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine (CID 164678515) is N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine is C=CCC1(CN(CC)CC)C=C/C(=C\[Si](C)(C)C)c2ccccc21.
What is the InChIKey of N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is PJSZFGXAQAGIGE-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H33NSi/c1-7-15-22(18-23(8-2)9-3)16-14-19(17-24(4,5)6)20-12-10-11-13-21(20)22/h7,10-14,16-17H,1,8-9,15,18H2,2-6H3/b19-17+.
What are the key properties of N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine?
N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 339.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(4E)-1-prop-2-enyl-4-(trimethylsilylmethylidene)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 164678515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).