3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol

C17H27NO — CID 103787436

IUPAC3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCc2ccc(C)cc21
InChIInChI=1S/C17H27NO/c1-3-4-14(9-10-19)12-18-17-8-7-15-6-5-13(2)11-16(15)17/h5-6,11,14,17-19H,3-4,7-10,12H2,1-2H3
InChIKeyQZMJASCXAFXKGJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.37
Rot. Bonds7

About 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol

3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol (PubChem CID 103787436) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
PubChem CID103787436
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCc2ccc(C)cc21
InChIInChI=1S/C17H27NO/c1-3-4-14(9-10-19)12-18-17-8-7-15-6-5-13(2)11-16(15)17/h5-6,11,14,17-19H,3-4,7-10,12H2,1-2H3
InChIKeyQZMJASCXAFXKGJ-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol (CID 103787436) is 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CCc2ccc(C)cc21.
What is the InChIKey of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol?
The InChIKey is QZMJASCXAFXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-14(9-10-19)12-18-17-8-7-15-6-5-13(2)11-16(15)17/h5-6,11,14,17-19H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol?
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103787436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).