6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol

C17H27NO — CID 107851787

IUPAC6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c19-13-6-2-1-5-12-18-14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16,18-19H,1-2,5-7,9-10,12-14H2
InChIKeyLVBXFRGYFCZJCG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds8

About 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol

6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol (PubChem CID 107851787) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
PubChem CID107851787
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c19-13-6-2-1-5-12-18-14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16,18-19H,1-2,5-7,9-10,12-14H2
InChIKeyLVBXFRGYFCZJCG-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol?
The IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol (CID 107851787) is 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol?
The canonical SMILES for 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol is OCCCCCCNCC1CCCc2ccccc21.
What is the InChIKey of 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol?
The InChIKey is LVBXFRGYFCZJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-13-6-2-1-5-12-18-14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16,18-19H,1-2,5-7,9-10,12-14H2.
What are the key properties of 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol?
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 107851787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).