3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol

C17H27NO2 — CID 106811489

IUPAC3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO2/c1-2-17(19,13-18)10-5-11-20-16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,2-7,10-11,13,18H2,1H3
InChIKeyIEXLJGISKHEDEX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds7

About 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol

3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol (PubChem CID 106811489) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
PubChem CID106811489
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO2/c1-2-17(19,13-18)10-5-11-20-16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,2-7,10-11,13,18H2,1H3
InChIKeyIEXLJGISKHEDEX-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine
CID 103067111

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol (CID 106811489) is 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol is CCC(O)(CN)CCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol?
The InChIKey is IEXLJGISKHEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-17(19,13-18)10-5-11-20-16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,2-7,10-11,13,18H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol?
3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol has a molecular weight of 277.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol is sourced from PubChem (CID 106811489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).