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

C16H22N2O — CID 103705273

IUPAC3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)(C)CCO)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-12-10-15(17-11-16(2,3)8-9-19)13-6-4-5-7-14(13)18-12/h4-7,10,19H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyNPWKCQDLBUUNOS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.36
Rot. Bonds5

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

3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol (PubChem CID 103705273) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
PubChem CID103705273
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)(C)CCO)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-12-10-15(17-11-16(2,3)8-9-19)13-6-4-5-7-14(13)18-12/h4-7,10,19H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyNPWKCQDLBUUNOS-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinolin-4-amine
CID 71899453
4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 133438117
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
CID 66835446
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol (CID 103705273) is 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol is Cc1cc(NCC(C)(C)CCO)c2ccccc2n1.
What is the InChIKey of 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol?
The InChIKey is NPWKCQDLBUUNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-15(17-11-16(2,3)8-9-19)13-6-4-5-7-14(13)18-12/h4-7,10,19H,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 103705273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).