N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine

C10H22N2O — CID 61214530

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOC1CNC(CNC(C)(C)C)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-6-8-5-9(13-4)7-11-8/h8-9,11-12H,5-7H2,1-4H3
InChIKeyQDMWBKWEKLTFQO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.75
Rot. Bonds3

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

N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 61214530) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID61214530
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOC1CNC(CNC(C)(C)C)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-6-8-5-9(13-4)7-11-8/h8-9,11-12H,5-7H2,1-4H3
InChIKeyQDMWBKWEKLTFQO-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.75
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]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine (CID 61214530) is N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine is COC1CNC(CNC(C)(C)C)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is QDMWBKWEKLTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)12-6-8-5-9(13-4)7-11-8/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.75, 3 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]-2-methylpropan-2-amine is sourced from PubChem (CID 61214530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).