1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

C13H27NO2 — CID 103158288

IUPAC1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCOC(C)(C)CNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,16-3)10-14-9-12(15)8-11-6-4-5-7-11/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIUMXTSIHVNGDDZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (PubChem CID 103158288) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
PubChem CID103158288
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCOC(C)(C)CNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,16-3)10-14-9-12(15)8-11-6-4-5-7-11/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIUMXTSIHVNGDDZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
1-Cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-Cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 103157763
1-Cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 103157807
1-Cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
CID 103158170
1-Cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 103158173
1-Cyclopentyl-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 103158175
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1-difluoropropan-2-ol
CID 105645405
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
CID 106176435
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093395
1-Cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
CID 114127427
1-(3,3-Difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol
CID 114225407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (CID 103158288) is 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is COC(C)(C)CNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The InChIKey is IUMXTSIHVNGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,16-3)10-14-9-12(15)8-11-6-4-5-7-11/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 103158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).