bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane

C40H60N4 — CID 158524529

IUPACbis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
SMILESC=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.C=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.CC.CC
InChIInChI=1S/2C18H24N2.2C2H6/c2*1-12-13(2)19-16-11-9-8-10-15(16)17(12)14(3)20(7)18(4,5)6;2*1-2/h2*8-11H,3H2,1-2,4-7H3;2*1-2H3
InChIKeyHMPYVVTUCWMSSR-UHFFFAOYSA-N
MW596.95 g/mol
LogP11.16
Rot. Bonds4

About bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane

bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane (PubChem CID 158524529) has the molecular formula C40H60N4 and a molecular weight of 596.95 g/mol. Its IUPAC name is bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane.

Molecular Properties

Compound Namebis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
PubChem CID158524529
Molecular FormulaC40H60N4
Molecular Weight596.95 g/mol
Exact Mass596.48
IUPAC Namebis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
SMILESC=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.C=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.CC.CC
InChIInChI=1S/2C18H24N2.2C2H6/c2*1-12-13(2)19-16-11-9-8-10-15(16)17(12)14(3)20(7)18(4,5)6;2*1-2/h2*8-11H,3H2,1-2,4-7H3;2*1-2H3
InChIKeyHMPYVVTUCWMSSR-UHFFFAOYSA-N
XLogP11.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine
CID 18681645
2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline
CID 59898299
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
N,2-dimethyl-N-(1-phenylethenyl)propan-2-amine;ethane
CID 159340519
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
CID 58625508
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
N,N-dimethylacridine-9-carboxamide
CID 125496081
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903

Frequently Asked Questions

What is the IUPAC name of bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane?
The IUPAC name of bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane (CID 158524529) is bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane.
What is the SMILES notation for bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane?
The canonical SMILES for bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane is C=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.C=C(c1c(C)c(C)nc2ccccc12)N(C)C(C)(C)C.CC.CC.
What is the InChIKey of bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane?
The InChIKey is HMPYVVTUCWMSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24N2.2C2H6/c2*1-12-13(2)19-16-11-9-8-10-15(16)17(12)14(3)20(7)18(4,5)6;2*1-2/h2*8-11H,3H2,1-2,4-7H3;2*1-2H3.
What are the key properties of bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane?
bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane has a molecular weight of 596.95 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane is sourced from PubChem (CID 158524529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).