(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine

C17H28N2O — CID 63457909

IUPAC(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
SMILESCCCCCCCOc1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-8-11-20-17-15(13-18)12-14-9-6-7-10-16(14)19-17/h12H,2-11,13,18H2,1H3
InChIKeyJIKVEMMKONKDSX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.77
Rot. Bonds8

About (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine

(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine (PubChem CID 63457909) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
PubChem CID63457909
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
SMILESCCCCCCCOc1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-8-11-20-17-15(13-18)12-14-9-6-7-10-16(14)19-17/h12H,2-11,13,18H2,1H3
InChIKeyJIKVEMMKONKDSX-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.77
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-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 64745498
[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 55067437
N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63686758
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63685915
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63686253
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol
CID 62332661
(3-pentoxypyrazin-2-yl)methanamine
CID 62672198
[2-(aminomethyl)-4-octoxyphenyl]methanethiol
CID 139514618

Frequently Asked Questions

What is the IUPAC name of (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine?
The IUPAC name of (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine (CID 63457909) is (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine.
What is the SMILES notation for (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine?
The canonical SMILES for (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine is CCCCCCCOc1nc2c(cc1CN)CCCC2.
What is the InChIKey of (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine?
The InChIKey is JIKVEMMKONKDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-4-5-8-11-20-17-15(13-18)12-14-9-6-7-10-16(14)19-17/h12H,2-11,13,18H2,1H3.
What are the key properties of (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine?
(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine is sourced from PubChem (CID 63457909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).