1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine

C25H29NS — CID 143792769

IUPAC1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1C(C)(CC=C(C)C)C/C=C/c1cccs1
InChIInChI=1S/C25H29NS/c1-19(2)15-17-25(3,16-7-10-21-11-8-18-27-21)24-22-12-6-5-9-20(22)13-14-23(24)26-4/h5-15,18,26H,16-17H2,1-4H3/b10-7+
InChIKeyZQHBXBYFNYSAPH-JXMROGBWSA-N
MW375.58 g/mol
LogP7.66
Rot. Bonds7

About 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine

1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine (PubChem CID 143792769) has the molecular formula C25H29NS and a molecular weight of 375.58 g/mol. Its IUPAC name is 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine
PubChem CID143792769
Molecular FormulaC25H29NS
Molecular Weight375.58 g/mol
Exact Mass375.20
IUPAC Name1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1C(C)(CC=C(C)C)C/C=C/c1cccs1
InChIInChI=1S/C25H29NS/c1-19(2)15-17-25(3,16-7-10-21-11-8-18-27-21)24-22-12-6-5-9-20(22)13-14-23(24)26-4/h5-15,18,26H,16-17H2,1-4H3/b10-7+
InChIKeyZQHBXBYFNYSAPH-JXMROGBWSA-N
XLogP7.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine?
The IUPAC name of 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine (CID 143792769) is 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine.
What is the SMILES notation for 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine?
The canonical SMILES for 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine is CNc1ccc2ccccc2c1C(C)(CC=C(C)C)C/C=C/c1cccs1.
What is the InChIKey of 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine?
The InChIKey is ZQHBXBYFNYSAPH-JXMROGBWSA-N. The full InChI is InChI=1S/C25H29NS/c1-19(2)15-17-25(3,16-7-10-21-11-8-18-27-21)24-22-12-6-5-9-20(22)13-14-23(24)26-4/h5-15,18,26H,16-17H2,1-4H3/b10-7+.
What are the key properties of 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine?
1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine has a molecular weight of 375.58 g/mol, XLogP of 7.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine is sourced from PubChem (CID 143792769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).