[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol

C17H31N3O — CID 79646242

IUPAC[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
SMILESCN1C2CCC1CN(C1CCC(CO)(NC3CC3)C1)CC2
InChIInChI=1S/C17H31N3O/c1-19-14-4-5-16(19)11-20(9-7-14)15-6-8-17(10-15,12-21)18-13-2-3-13/h13-16,18,21H,2-12H2,1H3
InChIKeyIVOUXROMIPKCNH-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.19
Rot. Bonds4

About [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol

[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol (PubChem CID 79646242) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
PubChem CID79646242
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
SMILESCN1C2CCC1CN(C1CCC(CO)(NC3CC3)C1)CC2
InChIInChI=1S/C17H31N3O/c1-19-14-4-5-16(19)11-20(9-7-14)15-6-8-17(10-15,12-21)18-13-2-3-13/h13-16,18,21H,2-12H2,1H3
InChIKeyIVOUXROMIPKCNH-UHFFFAOYSA-N
XLogP1.19
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanol
CID 102968918
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640171
[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol
CID 79633952
[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79634714
[1-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79657108
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[1-(cyclopropylamino)-3-(2,5-dimethylmorpholin-4-yl)cyclopentyl]methanol
CID 79656126
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
3-(cyclopropylamino)-3-(hydroxymethyl)cyclopentan-1-ol
CID 164644074
[8-methyl-3-(methylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054110
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
[1-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol
CID 79645746

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol (CID 79646242) is [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol is CN1C2CCC1CN(C1CCC(CO)(NC3CC3)C1)CC2.
What is the InChIKey of [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol?
The InChIKey is IVOUXROMIPKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19-14-4-5-16(19)11-20(9-7-14)15-6-8-17(10-15,12-21)18-13-2-3-13/h13-16,18,21H,2-12H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol?
[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol has a molecular weight of 293.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol is sourced from PubChem (CID 79646242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).