3-(heptoxymethyl)quinolin-2-amine

C17H24N2O — CID 62194119

IUPAC3-(heptoxymethyl)quinolin-2-amine
SMILESCCCCCCCOCc1cc2ccccc2nc1N
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18/h6-7,9-10,12H,2-5,8,11,13H2,1H3,(H2,18,19)
InChIKeyHWAXVMJTMKAEHV-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.30
Rot. Bonds8

About 3-(heptoxymethyl)quinolin-2-amine

3-(heptoxymethyl)quinolin-2-amine (PubChem CID 62194119) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(heptoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(heptoxymethyl)quinolin-2-amine
PubChem CID62194119
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(heptoxymethyl)quinolin-2-amine
SMILESCCCCCCCOCc1cc2ccccc2nc1N
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18/h6-7,9-10,12H,2-5,8,11,13H2,1H3,(H2,18,19)
InChIKeyHWAXVMJTMKAEHV-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(hexoxymethyl)-N-methylquinolin-2-amine
CID 62193412
3-octylquinolin-2-amine
CID 23131231
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
2-(8-hexoxyoctyl)quinolin-3-amine
CID 175093877
2-(dodecoxymethyl)quinoline
CID 14754989
3-(2,2-difluoroethoxymethyl)quinolin-2-amine
CID 82007215
1-(hexoxymethyl)naphthalene
CID 18427527
acridine;heptane
CID 158562494
3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
CID 64744814
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764

Frequently Asked Questions

What is the IUPAC name of 3-(heptoxymethyl)quinolin-2-amine?
The IUPAC name of 3-(heptoxymethyl)quinolin-2-amine (CID 62194119) is 3-(heptoxymethyl)quinolin-2-amine.
What is the SMILES notation for 3-(heptoxymethyl)quinolin-2-amine?
The canonical SMILES for 3-(heptoxymethyl)quinolin-2-amine is CCCCCCCOCc1cc2ccccc2nc1N.
What is the InChIKey of 3-(heptoxymethyl)quinolin-2-amine?
The InChIKey is HWAXVMJTMKAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18/h6-7,9-10,12H,2-5,8,11,13H2,1H3,(H2,18,19).
What are the key properties of 3-(heptoxymethyl)quinolin-2-amine?
3-(heptoxymethyl)quinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptoxymethyl)quinolin-2-amine is sourced from PubChem (CID 62194119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).