1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine

C18H23N — CID 142138952

IUPAC1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine
SMILESC=C(C)NC(=C)C.CCc1cccc2ccccc12
InChIInChI=1S/C12H12.C6H11N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5(2)7-6(3)4/h3-9H,2H2,1H3;7H,1,3H2,2,4H3
InChIKeyJHGMROMEXCMIDC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.05
Rot. Bonds3

About 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine

1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine (PubChem CID 142138952) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine
PubChem CID142138952
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine
SMILESC=C(C)NC(=C)C.CCc1cccc2ccccc12
InChIInChI=1S/C12H12.C6H11N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5(2)7-6(3)4/h3-9H,2H2,1H3;7H,1,3H2,2,4H3
InChIKeyJHGMROMEXCMIDC-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine?
The IUPAC name of 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine (CID 142138952) is 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine.
What is the SMILES notation for 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine?
The canonical SMILES for 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine is C=C(C)NC(=C)C.CCc1cccc2ccccc12.
What is the InChIKey of 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine?
The InChIKey is JHGMROMEXCMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C6H11N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5(2)7-6(3)4/h3-9H,2H2,1H3;7H,1,3H2,2,4H3.
What are the key properties of 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine?
1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine has a molecular weight of 253.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine is sourced from PubChem (CID 142138952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).