aziridine;1,2-diethylnaphthalene

C16H21N — CID 88846211

IUPACaziridine;1,2-diethylnaphthalene
SMILESC1CN1.CCc1ccc2ccccc2c1CC
InChIInChI=1S/C14H16.C2H5N/c1-3-11-9-10-12-7-5-6-8-14(12)13(11)4-2;1-2-3-1/h5-10H,3-4H2,1-2H3;3H,1-2H2
InChIKeyPPDIKOVZKHZZBR-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.55
Rot. Bonds2

About aziridine;1,2-diethylnaphthalene

aziridine;1,2-diethylnaphthalene (PubChem CID 88846211) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is aziridine;1,2-diethylnaphthalene.

Molecular Properties

Compound Nameaziridine;1,2-diethylnaphthalene
PubChem CID88846211
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameaziridine;1,2-diethylnaphthalene
SMILESC1CN1.CCc1ccc2ccccc2c1CC
InChIInChI=1S/C14H16.C2H5N/c1-3-11-9-10-12-7-5-6-8-14(12)13(11)4-2;1-2-3-1/h5-10H,3-4H2,1-2H3;3H,1-2H2
InChIKeyPPDIKOVZKHZZBR-UHFFFAOYSA-N
XLogP3.55
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-diethylanthracene
CID 19372429
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
1-ethyl-2-pentylnaphthalene
CID 173391903
1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene
CID 173254682
CID 173411630
CID 173411630
CID 69106852
CID 69106852
1-ethyl-2-fluoronaphthalene
CID 19065482
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide
CID 138053647
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of aziridine;1,2-diethylnaphthalene?
The IUPAC name of aziridine;1,2-diethylnaphthalene (CID 88846211) is aziridine;1,2-diethylnaphthalene.
What is the SMILES notation for aziridine;1,2-diethylnaphthalene?
The canonical SMILES for aziridine;1,2-diethylnaphthalene is C1CN1.CCc1ccc2ccccc2c1CC.
What is the InChIKey of aziridine;1,2-diethylnaphthalene?
The InChIKey is PPDIKOVZKHZZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H5N/c1-3-11-9-10-12-7-5-6-8-14(12)13(11)4-2;1-2-3-1/h5-10H,3-4H2,1-2H3;3H,1-2H2.
What are the key properties of aziridine;1,2-diethylnaphthalene?
aziridine;1,2-diethylnaphthalene has a molecular weight of 227.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;1,2-diethylnaphthalene is sourced from PubChem (CID 88846211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).