1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine

C13H26N2O — CID 63829262

IUPAC1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCOC1CNC(CNCC2(C)CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(5-3-4-6-13)10-14-8-11-7-12(16-2)9-15-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyWKCRUIADLVSTBM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.53
Rot. Bonds5

About 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine

1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 63829262) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID63829262
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCOC1CNC(CNCC2(C)CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(5-3-4-6-13)10-14-8-11-7-12(16-2)9-15-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyWKCRUIADLVSTBM-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 63829262) is 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine is COC1CNC(CNCC2(C)CCCC2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is WKCRUIADLVSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(5-3-4-6-13)10-14-8-11-7-12(16-2)9-15-11/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 63829262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).