1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine

C24H34N2 — CID 143794220

IUPAC1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine
SMILESC=C1C=CC2=C(CCC(N)=C2CCCCN2CC=C(/C(C)=C/C)CC2)C1
InChIInChI=1S/C24H34N2/c1-4-19(3)20-12-15-26(16-13-20)14-6-5-7-23-22-10-8-18(2)17-21(22)9-11-24(23)25/h4,8,10,12H,2,5-7,9,11,13-17,25H2,1,3H3/b19-4+
InChIKeyJYLBWAWWMMQXOT-RMOCHZDMSA-N
MW350.55 g/mol
LogP5.57
Rot. Bonds6

About 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine

1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine (PubChem CID 143794220) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine.

Molecular Properties

Compound Name1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine
PubChem CID143794220
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine
SMILESC=C1C=CC2=C(CCC(N)=C2CCCCN2CC=C(/C(C)=C/C)CC2)C1
InChIInChI=1S/C24H34N2/c1-4-19(3)20-12-15-26(16-13-20)14-6-5-7-23-22-10-8-18(2)17-21(22)9-11-24(23)25/h4,8,10,12H,2,5-7,9,11,13-17,25H2,1,3H3/b19-4+
InChIKeyJYLBWAWWMMQXOT-RMOCHZDMSA-N
XLogP5.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine?
The IUPAC name of 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine (CID 143794220) is 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine.
What is the SMILES notation for 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine?
The canonical SMILES for 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine is C=C1C=CC2=C(CCC(N)=C2CCCCN2CC=C(/C(C)=C/C)CC2)C1.
What is the InChIKey of 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine?
The InChIKey is JYLBWAWWMMQXOT-RMOCHZDMSA-N. The full InChI is InChI=1S/C24H34N2/c1-4-19(3)20-12-15-26(16-13-20)14-6-5-7-23-22-10-8-18(2)17-21(22)9-11-24(23)25/h4,8,10,12H,2,5-7,9,11,13-17,25H2,1,3H3/b19-4+.
What are the key properties of 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine?
1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine has a molecular weight of 350.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-methylidene-4,5-dihydro-3H-naphthalen-2-amine is sourced from PubChem (CID 143794220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).