4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol

C17H24N2O — CID 106350873

IUPAC4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
SMILESCc1cc2ccccc2nc1NC(CCO)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12-11-13-7-5-6-8-14(13)18-16(12)19-15(9-10-20)17(2,3)4/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyCLUZWACEGUKARY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.75
Rot. Bonds4

About 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol

4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol (PubChem CID 106350873) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
PubChem CID106350873
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
SMILESCc1cc2ccccc2nc1NC(CCO)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12-11-13-7-5-6-8-14(13)18-16(12)19-15(9-10-20)17(2,3)4/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyCLUZWACEGUKARY-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol (CID 106350873) is 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol is Cc1cc2ccccc2nc1NC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol?
The InChIKey is CLUZWACEGUKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-11-13-7-5-6-8-14(13)18-16(12)19-15(9-10-20)17(2,3)4/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol?
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 106350873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).