[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol

C16H30N2O2 — CID 79640171

IUPAC[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
SMILESCOCC1CCN(C2CCCC(CO)(NC3CC3)C2)C1
InChIInChI=1S/C16H30N2O2/c1-20-11-13-6-8-18(10-13)15-3-2-7-16(9-15,12-19)17-14-4-5-14/h13-15,17,19H,2-12H2,1H3
InChIKeyZQAHOMUWFQEQMI-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.38
Rot. Bonds6

About [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol

[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol (PubChem CID 79640171) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
PubChem CID79640171
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
SMILESCOCC1CCN(C2CCCC(CO)(NC3CC3)C2)C1
InChIInChI=1S/C16H30N2O2/c1-20-11-13-6-8-18(10-13)15-3-2-7-16(9-15,12-19)17-14-4-5-14/h13-15,17,19H,2-12H2,1H3
InChIKeyZQAHOMUWFQEQMI-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640319
[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-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanol
CID 102968918
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641851
[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
CID 79646242
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
CID 102887311
[1-(ethylamino)-3-(4-methoxypiperidin-1-yl)cyclohexyl]methanol
CID 79640451

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol (CID 79640171) is [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol is COCC1CCN(C2CCCC(CO)(NC3CC3)C2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol?
The InChIKey is ZQAHOMUWFQEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-20-11-13-6-8-18(10-13)15-3-2-7-16(9-15,12-19)17-14-4-5-14/h13-15,17,19H,2-12H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol?
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol has a molecular weight of 282.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 79640171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).