4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol

C16H22N2O — CID 106350849

IUPAC4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-16(2,3)14(10-11-19)18-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,14,19H,10-11H2,1-3H3,(H,17,18)
InChIKeyFITJWOPJSKCZBA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds4

About 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol

4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol (PubChem CID 106350849) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
PubChem CID106350849
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-16(2,3)14(10-11-19)18-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,14,19H,10-11H2,1-3H3,(H,17,18)
InChIKeyFITJWOPJSKCZBA-UHFFFAOYSA-N
XLogP3.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
CID 106348387
butane-1,3-diol;2-methylquinoline
CID 141397242
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol (CID 106350849) is 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol is CC(C)(C)C(CCO)Nc1ccc2ccccc2n1.
What is the InChIKey of 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol?
The InChIKey is FITJWOPJSKCZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)14(10-11-19)18-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,14,19H,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol?
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.44, 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-(quinolin-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106350849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).