1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol

C17H33NO2 — CID 114546017

IUPAC1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNC1CCC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-13-6-4-5-7-16(13)20-12-15(19)11-18-14-8-9-17(2,3)10-14/h13-16,18-19H,4-12H2,1-3H3
InChIKeyZDCKTSYXNINWAN-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds6

About 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol

1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 114546017) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID114546017
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNC1CCC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-13-6-4-5-7-16(13)20-12-15(19)11-18-14-8-9-17(2,3)10-14/h13-16,18-19H,4-12H2,1-3H3
InChIKeyZDCKTSYXNINWAN-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 114545948
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 114546017) is 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CNC1CCC(C)(C)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is ZDCKTSYXNINWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13-6-4-5-7-16(13)20-12-15(19)11-18-14-8-9-17(2,3)10-14/h13-16,18-19H,4-12H2,1-3H3.
What are the key properties of 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 114546017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).