(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one

C21H32N2O — CID 15222437

IUPAC(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
SMILESCCCN(CCC)C1CCc2cccc(C(=O)/C=C/N(C)C)c2C1
InChIInChI=1S/C21H32N2O/c1-5-13-23(14-6-2)18-11-10-17-8-7-9-19(20(17)16-18)21(24)12-15-22(3)4/h7-9,12,15,18H,5-6,10-11,13-14,16H2,1-4H3/b15-12+
InChIKeyUFMRMTJBMIZXDB-NTCAYCPXSA-N
MW328.50 g/mol
LogP3.92
Rot. Bonds8

About (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one (PubChem CID 15222437) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
PubChem CID15222437
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
SMILESCCCN(CCC)C1CCc2cccc(C(=O)/C=C/N(C)C)c2C1
InChIInChI=1S/C21H32N2O/c1-5-13-23(14-6-2)18-11-10-17-8-7-9-19(20(17)16-18)21(24)12-15-22(3)4/h7-9,12,15,18H,5-6,10-11,13-14,16H2,1-4H3/b15-12+
InChIKeyUFMRMTJBMIZXDB-NTCAYCPXSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one (CID 15222437) is (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one is CCCN(CCC)C1CCc2cccc(C(=O)/C=C/N(C)C)c2C1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one?
The InChIKey is UFMRMTJBMIZXDB-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H32N2O/c1-5-13-23(14-6-2)18-11-10-17-8-7-9-19(20(17)16-18)21(24)12-15-22(3)4/h7-9,12,15,18H,5-6,10-11,13-14,16H2,1-4H3/b15-12+.
What are the key properties of (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one has a molecular weight of 328.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one is sourced from PubChem (CID 15222437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).