8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine

C20H32N2 — CID 171819461

IUPAC8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine
SMILESCCc1cc(NC(C)CC(C)C)cc2c1NC(C)(C)C=C2C
InChIInChI=1S/C20H32N2/c1-8-16-10-17(21-15(5)9-13(2)3)11-18-14(4)12-20(6,7)22-19(16)18/h10-13,15,21-22H,8-9H2,1-7H3
InChIKeyIBNDMIWNZJSLRV-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.70
Rot. Bonds5

About 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine

8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine (PubChem CID 171819461) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine.

Molecular Properties

Compound Name8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine
PubChem CID171819461
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine
SMILESCCc1cc(NC(C)CC(C)C)cc2c1NC(C)(C)C=C2C
InChIInChI=1S/C20H32N2/c1-8-16-10-17(21-15(5)9-13(2)3)11-18-14(4)12-20(6,7)22-19(16)18/h10-13,15,21-22H,8-9H2,1-7H3
InChIKeyIBNDMIWNZJSLRV-UHFFFAOYSA-N
XLogP5.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4,8-tetramethyl-N-propan-2-yl-1H-quinolin-6-amine
CID 170610773
2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine
CID 171819747
2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
CID 91670642
4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine
CID 174953219
3-fluoro-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 60877643
8-chloro-2,2,4,6-tetramethyl-1H-quinoline
CID 53419048
5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206249
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
7-chloro-2,2,4,8-tetramethyl-1H-quinoline
CID 53418902
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
1-N-(4-methylpentan-2-yl)-4-N-[4-(4-methylpentan-2-ylamino)phenyl]-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 178132403

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine?
The IUPAC name of 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine (CID 171819461) is 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine.
What is the SMILES notation for 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine?
The canonical SMILES for 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine is CCc1cc(NC(C)CC(C)C)cc2c1NC(C)(C)C=C2C.
What is the InChIKey of 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine?
The InChIKey is IBNDMIWNZJSLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-8-16-10-17(21-15(5)9-13(2)3)11-18-14(4)12-20(6,7)22-19(16)18/h10-13,15,21-22H,8-9H2,1-7H3.
What are the key properties of 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine?
8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine has a molecular weight of 300.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine is sourced from PubChem (CID 171819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).