N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine

C10H20N2O — CID 115688929

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
SMILESCN1CCCC1CNC1CCOC1
InChIInChI=1S/C10H20N2O/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h9-11H,2-8H2,1H3
InChIKeyFDWKAGOJLGDMAX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine

N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine (PubChem CID 115688929) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
PubChem CID115688929
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
SMILESCN1CCCC1CNC1CCOC1
InChIInChI=1S/C10H20N2O/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h9-11H,2-8H2,1H3
InChIKeyFDWKAGOJLGDMAX-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine (CID 115688929) is N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine is CN1CCCC1CNC1CCOC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine?
The InChIKey is FDWKAGOJLGDMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h9-11H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 115688929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).