N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine

C22H32N2 — CID 134287846

IUPACN-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)C(C)C(C)CC1=CCC2(C)N=CC=CC2=C1
InChIInChI=1S/C22H32N2/c1-7-8-10-18(3)24(6)19(4)17(2)15-20-12-13-22(5)21(16-20)11-9-14-23-22/h7,9,11-12,14,16-17,19H,1,3,8,10,13,15H2,2,4-6H3
InChIKeyUUXVZWURBMZYST-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.47
Rot. Bonds8

About N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine

N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine (PubChem CID 134287846) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
PubChem CID134287846
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)C(C)C(C)CC1=CCC2(C)N=CC=CC2=C1
InChIInChI=1S/C22H32N2/c1-7-8-10-18(3)24(6)19(4)17(2)15-20-12-13-22(5)21(16-20)11-9-14-23-22/h7,9,11-12,14,16-17,19H,1,3,8,10,13,15H2,2,4-6H3
InChIKeyUUXVZWURBMZYST-UHFFFAOYSA-N
XLogP5.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine with MolForge

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Related Compounds

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4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine
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N-[(Z)-[(3R,4bR)-9-hept-6-enyl-2,3,4b,5,6,8a-hexahydrocarbazol-3-yl]-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 90269809
[3-[[(3-Ethyl-4,5-dimethylhex-1-en-2-yl)-methylazaniumylidene]methyl]-4,5-dimethylhepta-1,3-dien-2-yl]-dimethyl-propylazanium
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4-[3-(2-methylcyclohex-3-en-1-yl)-1-(6-methylcyclohex-2-en-1-yl)buta-1,3-dienyl]-1-propyl-3,5-dihydro-2H-pyrazin-1-ium
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CID 123978373
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
(2E,4Z)-3-[(2E,3Z)-2,3-di(ethylidene)-4,5-dimethylpyrrolidin-1-yl]-N-methylhexa-2,4-dien-1-imine;ethane
CID 144340195

Frequently Asked Questions

What is the IUPAC name of N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine?
The IUPAC name of N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine (CID 134287846) is N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine.
What is the SMILES notation for N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine?
The canonical SMILES for N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine is C=CCCC(=C)N(C)C(C)C(C)CC1=CCC2(C)N=CC=CC2=C1.
What is the InChIKey of N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine?
The InChIKey is UUXVZWURBMZYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-7-8-10-18(3)24(6)19(4)17(2)15-20-12-13-22(5)21(16-20)11-9-14-23-22/h7,9,11-12,14,16-17,19H,1,3,8,10,13,15H2,2,4-6H3.
What are the key properties of N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine?
N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine has a molecular weight of 324.51 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine is sourced from PubChem (CID 134287846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).