4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine

C23H30N2 — CID 166893935

IUPAC4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine
SMILESC/C(=C\NC(C)CCc1ccc2c(n1)=CCCC=2)C1=CCC(C)C=C1
InChIInChI=1S/C23H30N2/c1-17-8-11-20(12-9-17)18(2)16-24-19(3)10-14-22-15-13-21-6-4-5-7-23(21)25-22/h6-8,11-13,15-17,19,24H,4-5,9-10,14H2,1-3H3/b18-16+
InChIKeyJMKDNPMUILCKIC-FBMGVBCBSA-N
MW334.51 g/mol
LogP3.77
Rot. Bonds6

About 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine

4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine (PubChem CID 166893935) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine.

Molecular Properties

Compound Name4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine
PubChem CID166893935
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine
SMILESC/C(=C\NC(C)CCc1ccc2c(n1)=CCCC=2)C1=CCC(C)C=C1
InChIInChI=1S/C23H30N2/c1-17-8-11-20(12-9-17)18(2)16-24-19(3)10-14-22-15-13-21-6-4-5-7-23(21)25-22/h6-8,11-13,15-17,19,24H,4-5,9-10,14H2,1-3H3/b18-16+
InChIKeyJMKDNPMUILCKIC-FBMGVBCBSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine?
The IUPAC name of 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine (CID 166893935) is 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine.
What is the SMILES notation for 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine?
The canonical SMILES for 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine is C/C(=C\NC(C)CCc1ccc2c(n1)=CCCC=2)C1=CCC(C)C=C1.
What is the InChIKey of 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine?
The InChIKey is JMKDNPMUILCKIC-FBMGVBCBSA-N. The full InChI is InChI=1S/C23H30N2/c1-17-8-11-20(12-9-17)18(2)16-24-19(3)10-14-22-15-13-21-6-4-5-7-23(21)25-22/h6-8,11-13,15-17,19,24H,4-5,9-10,14H2,1-3H3/b18-16+.
What are the key properties of 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine?
4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine has a molecular weight of 334.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine is sourced from PubChem (CID 166893935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).