[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol

C15H27NO3 — CID 79640652

IUPAC[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCC2CCOC2)C1
InChIInChI=1S/C15H27NO3/c17-11-15(16-13-3-4-13)6-1-2-14(8-15)19-10-12-5-7-18-9-12/h12-14,16-17H,1-11H2
InChIKeyOFALWFOHTCENCA-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.47
Rot. Bonds6

About [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol (PubChem CID 79640652) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
PubChem CID79640652
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCC2CCOC2)C1
InChIInChI=1S/C15H27NO3/c17-11-15(16-13-3-4-13)6-1-2-14(8-15)19-10-12-5-7-18-9-12/h12-14,16-17H,1-11H2
InChIKeyOFALWFOHTCENCA-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957194
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
[1-(cyclopropylamino)-3-(2-methylpropoxy)cyclopentyl]methanol
CID 79647999
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640171

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol (CID 79640652) is [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(OCC2CCOC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol?
The InChIKey is OFALWFOHTCENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-11-15(16-13-3-4-13)6-1-2-14(8-15)19-10-12-5-7-18-9-12/h12-14,16-17H,1-11H2.
What are the key properties of [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol has a molecular weight of 269.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).