N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine

C10H20N2O — CID 62415980

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine
SMILESCOC1CNC(CNC2CCC2)C1
InChIInChI=1S/C10H20N2O/c1-13-10-5-9(12-7-10)6-11-8-3-2-4-8/h8-12H,2-7H2,1H3
InChIKeyKVOCRAQAPJNUQR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds4

About N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine

N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine (PubChem CID 62415980) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine
PubChem CID62415980
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine
SMILESCOC1CNC(CNC2CCC2)C1
InChIInChI=1S/C10H20N2O/c1-13-10-5-9(12-7-10)6-11-8-3-2-4-8/h8-12H,2-7H2,1H3
InChIKeyKVOCRAQAPJNUQR-UHFFFAOYSA-N
XLogP0.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine (CID 62415980) is N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine is COC1CNC(CNC2CCC2)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine?
The InChIKey is KVOCRAQAPJNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-5-9(12-7-10)6-11-8-3-2-4-8/h8-12H,2-7H2,1H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine?
N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine has a molecular weight of 184.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 62415980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).