4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol

C17H27NO — CID 166262814

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
SMILESCCC(O)C(CC)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO/c1-3-16(17(19)4-2)18-12-13-9-10-14-7-5-6-8-15(14)11-13/h9-11,16-19H,3-8,12H2,1-2H3
InChIKeyDYYJDTCJFDJWRH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.20
Rot. Bonds6

About 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol

4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol (PubChem CID 166262814) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
PubChem CID166262814
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
SMILESCCC(O)C(CC)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO/c1-3-16(17(19)4-2)18-12-13-9-10-14-7-5-6-8-15(14)11-13/h9-11,16-19H,3-8,12H2,1-2H3
InChIKeyDYYJDTCJFDJWRH-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
methyl (2S)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-hydroxypropanoate
CID 139239849
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol (CID 166262814) is 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol is CCC(O)C(CC)NCc1ccc2c(c1)CCCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol?
The InChIKey is DYYJDTCJFDJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16(17(19)4-2)18-12-13-9-10-14-7-5-6-8-15(14)11-13/h9-11,16-19H,3-8,12H2,1-2H3.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol?
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol has a molecular weight of 261.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol is sourced from PubChem (CID 166262814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).