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'}

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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).