4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol

C18H26N2O — CID 81228162

IUPAC4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol
SMILESCc1ccc2cc(C(C)(O)CCNC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2O/c1-13-6-7-14-12-15(8-9-16(14)20-13)18(5,21)10-11-19-17(2,3)4/h6-9,12,19,21H,10-11H2,1-5H3
InChIKeyLPXLWYDOXWUFAB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.53
Rot. Bonds4

About 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol

4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol (PubChem CID 81228162) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol
PubChem CID81228162
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol
SMILESCc1ccc2cc(C(C)(O)CCNC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2O/c1-13-6-7-14-12-15(8-9-16(14)20-13)18(5,21)10-11-19-17(2,3)4/h6-9,12,19,21H,10-11H2,1-5H3
InChIKeyLPXLWYDOXWUFAB-UHFFFAOYSA-N
XLogP3.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol (CID 81228162) is 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol is Cc1ccc2cc(C(C)(O)CCNC(C)(C)C)ccc2n1.
What is the InChIKey of 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol?
The InChIKey is LPXLWYDOXWUFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-7-14-12-15(8-9-16(14)20-13)18(5,21)10-11-19-17(2,3)4/h6-9,12,19,21H,10-11H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol?
4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol is sourced from PubChem (CID 81228162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).