[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine

C16H31N3O — CID 106872497

IUPAC[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-20-15-6-2-3-8-16(15,13-17)19-11-7-14(12-19)18-9-4-5-10-18/h14-15H,2-13,17H2,1H3
InChIKeyDVKPINAULMIHJI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.44
Rot. Bonds4

About [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine

[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 106872497) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID106872497
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3O/c1-20-15-6-2-3-8-16(15,13-17)19-11-7-14(12-19)18-9-4-5-10-18/h14-15H,2-13,17H2,1H3
InChIKeyDVKPINAULMIHJI-UHFFFAOYSA-N
XLogP1.44
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872730
1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106872340
[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872557
[2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexyl]methanamine
CID 106872792
[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64763152
[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
CID 82718925
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 106872497) is [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine is COC1CCCCC1(CN)N1CCC(N2CCCC2)C1.
What is the InChIKey of [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is DVKPINAULMIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-20-15-6-2-3-8-16(15,13-17)19-11-7-14(12-19)18-9-4-5-10-18/h14-15H,2-13,17H2,1H3.
What are the key properties of [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 106872497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).