[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine

C13H26N2O — CID 64569292

IUPAC[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
SMILESCOCC1CCN(C2(CN)CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-10-12-5-8-15(9-12)13(11-14)6-3-2-4-7-13/h12H,2-11,14H2,1H3
InChIKeyOOBSKFOONYZXBJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds4

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

[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine (PubChem CID 64569292) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
PubChem CID64569292
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
SMILESCOCC1CCN(C2(CN)CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-10-12-5-8-15(9-12)13(11-14)6-3-2-4-7-13/h12H,2-11,14H2,1H3
InChIKeyOOBSKFOONYZXBJ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
CID 106586385
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine (CID 64569292) is [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine is COCC1CCN(C2(CN)CCCCC2)C1.
What is the InChIKey of [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine?
The InChIKey is OOBSKFOONYZXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-12-5-8-15(9-12)13(11-14)6-3-2-4-7-13/h12H,2-11,14H2,1H3.
What are the key properties of [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine?
[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 64569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).