3-(quinolin-6-ylmethoxymethyl)pentan-3-amine

C16H22N2O — CID 64571432

IUPAC3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-3-16(17,4-2)12-19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyKFTGOXDSLZAASA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.27
Rot. Bonds6

About 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine

3-(quinolin-6-ylmethoxymethyl)pentan-3-amine (PubChem CID 64571432) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
PubChem CID64571432
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-3-16(17,4-2)12-19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyKFTGOXDSLZAASA-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-6-ylmethoxymethyl)cyclopentan-1-amine
CID 64573735
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
1-phenyl-2-quinolin-6-ylbutan-2-amine
CID 81196822

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine (CID 64571432) is 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine is CCC(N)(CC)COCc1ccc2ncccc2c1.
What is the InChIKey of 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine?
The InChIKey is KFTGOXDSLZAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(17,4-2)12-19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10H,3-4,11-12,17H2,1-2H3.
What are the key properties of 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine?
3-(quinolin-6-ylmethoxymethyl)pentan-3-amine has a molecular weight of 258.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylmethoxymethyl)pentan-3-amine is sourced from PubChem (CID 64571432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).