3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol

C16H22N2O — CID 103768861

IUPAC3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-3-16(2,10-11-19)17-12-14-9-8-13-6-4-5-7-15(13)18-14/h4-9,17,19H,3,10-12H2,1-2H3
InChIKeyMYJIYYRPFCYLDP-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.88
Rot. Bonds6

About 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol

3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol (PubChem CID 103768861) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
PubChem CID103768861
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-3-16(2,10-11-19)17-12-14-9-8-13-6-4-5-7-15(13)18-14/h4-9,17,19H,3,10-12H2,1-2H3
InChIKeyMYJIYYRPFCYLDP-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 114152911
1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine
CID 107867234
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 114941479
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol (CID 103768861) is 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol is CCC(C)(CCO)NCc1ccc2ccccc2n1.
What is the InChIKey of 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol?
The InChIKey is MYJIYYRPFCYLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(2,10-11-19)17-12-14-9-8-13-6-4-5-7-15(13)18-14/h4-9,17,19H,3,10-12H2,1-2H3.
What are the key properties of 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol?
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 103768861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).