4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol

C17H24N2O — CID 104881409

IUPAC4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccc2ncccc2c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(8-10-20)19-12-13-6-7-15-14(11-13)5-4-9-18-15/h4-7,9,11,16,19-20H,8,10,12H2,1-3H3
InChIKeyIOKFUESIMFEHHW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.12
Rot. Bonds5

About 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol

4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol (PubChem CID 104881409) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
PubChem CID104881409
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccc2ncccc2c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(8-10-20)19-12-13-6-7-15-14(11-13)5-4-9-18-15/h4-7,9,11,16,19-20H,8,10,12H2,1-3H3
InChIKeyIOKFUESIMFEHHW-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 114176802
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol (CID 104881409) is 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol is CC(C)(C)C(CCO)NCc1ccc2ncccc2c1.
What is the InChIKey of 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol?
The InChIKey is IOKFUESIMFEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)16(8-10-20)19-12-13-6-7-15-14(11-13)5-4-9-18-15/h4-7,9,11,16,19-20H,8,10,12H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol?
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.12, 5 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-6-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 104881409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).