(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine

C22H32N2 — CID 129058452

IUPAC(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
SMILESC=C/C=C(\C=C/CC1=CC2=C(CC1)CCC(C)=N2)CCCCNC
InChIInChI=1S/C22H32N2/c1-4-8-19(9-5-6-16-23-3)10-7-11-20-13-15-21-14-12-18(2)24-22(21)17-20/h4,7-8,10,17,23H,1,5-6,9,11-16H2,2-3H3/b10-7-,19-8-
InChIKeyWUOQTXMJSZJOKR-CPCULQLXSA-N
MW324.51 g/mol
LogP5.66
Rot. Bonds9

About (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine

(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine (PubChem CID 129058452) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
PubChem CID129058452
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
SMILESC=C/C=C(\C=C/CC1=CC2=C(CC1)CCC(C)=N2)CCCCNC
InChIInChI=1S/C22H32N2/c1-4-8-19(9-5-6-16-23-3)10-7-11-20-13-15-21-14-12-18(2)24-22(21)17-20/h4,7-8,10,17,23H,1,5-6,9,11-16H2,2-3H3/b10-7-,19-8-
InChIKeyWUOQTXMJSZJOKR-CPCULQLXSA-N
XLogP5.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine?
The IUPAC name of (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine (CID 129058452) is (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine?
The canonical SMILES for (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine is C=C/C=C(\C=C/CC1=CC2=C(CC1)CCC(C)=N2)CCCCNC.
What is the InChIKey of (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine?
The InChIKey is WUOQTXMJSZJOKR-CPCULQLXSA-N. The full InChI is InChI=1S/C22H32N2/c1-4-8-19(9-5-6-16-23-3)10-7-11-20-13-15-21-14-12-18(2)24-22(21)17-20/h4,7-8,10,17,23H,1,5-6,9,11-16H2,2-3H3/b10-7-,19-8-.
What are the key properties of (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine?
(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine has a molecular weight of 324.51 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine is sourced from PubChem (CID 129058452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).