N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine

C11H24N2O — CID 61214971

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOC1CNC(CNCC(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)8-12-6-9-5-10(14-4)7-13-9/h9-10,12-13H,5-8H2,1-4H3
InChIKeyAEWVBJONHQLFCD-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.00
Rot. Bonds4

About N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine

N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 61214971) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID61214971
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOC1CNC(CNCC(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)8-12-6-9-5-10(14-4)7-13-9/h9-10,12-13H,5-8H2,1-4H3
InChIKeyAEWVBJONHQLFCD-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.00
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]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine (CID 61214971) is N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine is COC1CNC(CNCC(C)(C)C)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is AEWVBJONHQLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)8-12-6-9-5-10(14-4)7-13-9/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.00, 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]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61214971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).