[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine

C15H30N2O — CID 120772413

IUPAC[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
SMILESCC1CCCCC1OCCN1CCC(C)(CN)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-4-6-14(13)18-10-9-17-8-7-15(2,11-16)12-17/h13-14H,3-12,16H2,1-2H3
InChIKeyWWQAVEROBIIADG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds5

About [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine (PubChem CID 120772413) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
PubChem CID120772413
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
SMILESCC1CCCCC1OCCN1CCC(C)(CN)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-4-6-14(13)18-10-9-17-8-7-15(2,11-16)12-17/h13-14H,3-12,16H2,1-2H3
InChIKeyWWQAVEROBIIADG-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780293
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
CID 120772694
(3aS,6aR)-2-[2-(2-methylcyclohexyl)oxyethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681090
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773647
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine (CID 120772413) is [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine is CC1CCCCC1OCCN1CCC(C)(CN)C1.
What is the InChIKey of [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WWQAVEROBIIADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-5-3-4-6-14(13)18-10-9-17-8-7-15(2,11-16)12-17/h13-14H,3-12,16H2,1-2H3.
What are the key properties of [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120772413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).