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

C16H25NO — CID 81343671

IUPAC3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC1CCc2ccc(C)cc21
InChIInChI=1S/C16H25NO/c1-3-13(8-9-18)11-17-16-7-6-14-5-4-12(2)10-15(14)16/h4-5,10,13,16-18H,3,6-9,11H2,1-2H3
InChIKeyPRVWSRBJCOQXPU-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.98
Rot. Bonds6

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

3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol (PubChem CID 81343671) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
PubChem CID81343671
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC1CCc2ccc(C)cc21
InChIInChI=1S/C16H25NO/c1-3-13(8-9-18)11-17-16-7-6-14-5-4-12(2)10-15(14)16/h4-5,10,13,16-18H,3,6-9,11H2,1-2H3
InChIKeyPRVWSRBJCOQXPU-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260462
(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
CID 107250248
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781987
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81298545
N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781821

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol (CID 81343671) is 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNC1CCc2ccc(C)cc21.
What is the InChIKey of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol?
The InChIKey is PRVWSRBJCOQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(8-9-18)11-17-16-7-6-14-5-4-12(2)10-15(14)16/h4-5,10,13,16-18H,3,6-9,11H2,1-2H3.
What are the key properties of 3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol?
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.98, 6 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]pentan-1-ol is sourced from PubChem (CID 81343671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).