2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine

C13H26N2O — CID 64582780

IUPAC2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1CCN(CC2CCCCC2N)C1
InChIInChI=1S/C13H26N2O/c1-16-10-11-6-7-15(8-11)9-12-4-2-3-5-13(12)14/h11-13H,2-10,14H2,1H3
InChIKeyKIMSFIUFDSSCQK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds4

About 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 64582780) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
PubChem CID64582780
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
SMILESCOCC1CCN(CC2CCCCC2N)C1
InChIInChI=1S/C13H26N2O/c1-16-10-11-6-7-15(8-11)9-12-4-2-3-5-13(12)14/h11-13H,2-10,14H2,1H3
InChIKeyKIMSFIUFDSSCQK-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 64582386
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 69043221
(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
(2S)-2-(methoxymethyl)cyclopentan-1-amine
CID 89358977
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
(2R)-2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexan-1-amine
CID 71159970

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine (CID 64582780) is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine is COCC1CCN(CC2CCCCC2N)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is KIMSFIUFDSSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-11-6-7-15(8-11)9-12-4-2-3-5-13(12)14/h11-13H,2-10,14H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64582780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).