6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H24N2O — CID 68932151

IUPAC6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(CNCCOC)c1ccc2c(c1)CCCC2N
InChIInChI=1S/C16H24N2O/c1-12(11-18-8-9-19-2)13-6-7-15-14(10-13)4-3-5-16(15)17/h6-7,10,16,18H,1,3-5,8-9,11,17H2,2H3
InChIKeyIKCXXROCLQKPNG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds6

About 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 68932151) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID68932151
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(CNCCOC)c1ccc2c(c1)CCCC2N
InChIInChI=1S/C16H24N2O/c1-12(11-18-8-9-19-2)13-6-7-15-14(10-13)4-3-5-16(15)17/h6-7,10,16,18H,1,3-5,8-9,11,17H2,2H3
InChIKeyIKCXXROCLQKPNG-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 68932151) is 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is C=C(CNCCOC)c1ccc2c(c1)CCCC2N.
What is the InChIKey of 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IKCXXROCLQKPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(11-18-8-9-19-2)13-6-7-15-14(10-13)4-3-5-16(15)17/h6-7,10,16,18H,1,3-5,8-9,11,17H2,2H3.
What are the key properties of 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 68932151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).