2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol

C21H34N2O — CID 113242310

IUPAC2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCC(CNC2CC2)(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C21H34N2O/c1-18-9-11-21(12-10-18,16-22-20-7-8-20)17-23(13-14-24)15-19-5-3-2-4-6-19/h2-6,18,20,22,24H,7-17H2,1H3
InChIKeyJXQPIMITZRGPND-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.43
Rot. Bonds9

About 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol

2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol (PubChem CID 113242310) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol
PubChem CID113242310
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCC(CNC2CC2)(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C21H34N2O/c1-18-9-11-21(12-10-18,16-22-20-7-8-20)17-23(13-14-24)15-19-5-3-2-4-6-19/h2-6,18,20,22,24H,7-17H2,1H3
InChIKeyJXQPIMITZRGPND-UHFFFAOYSA-N
XLogP3.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]ethanol
CID 134468943
2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
CID 122649223
2-[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
CID 122650125
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
CID 134468924
(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]-1-propanol
CID 24792596
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972
Ethanol, 2-((1,2-diphenylethyl)amino)-, hydrochloride
CID 201565
Dibenzylamine, N-(2-hydroxyethyl)-, hydrochloride
CID 22656
2-[(4-Biphenylylmethyl)amino]-1-butanol hydrochloride
CID 2970010
Multitarget AD inhibitor-1
CID 154701599
1-(Benzylamino)-3-[benzyl(methyl)amino]propan-2-ol
CID 12364332
2-(1-Benzyl-piperidin-4-ylamino)-ethanol
CID 10681218

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol (CID 113242310) is 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol is CC1CCC(CNC2CC2)(CN(CCO)Cc2ccccc2)CC1.
What is the InChIKey of 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol?
The InChIKey is JXQPIMITZRGPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-18-9-11-21(12-10-18,16-22-20-7-8-20)17-23(13-14-24)15-19-5-3-2-4-6-19/h2-6,18,20,22,24H,7-17H2,1H3.
What are the key properties of 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol?
2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol has a molecular weight of 330.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 113242310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).