1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine

C11H24N2O — CID 112698344

IUPAC1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESCN1CCC(NCCOC(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)14-8-6-12-10-5-7-13(4)9-10/h10,12H,5-9H2,1-4H3
InChIKeyJQXCOJHASZLFOL-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds4

About 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine

1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine (PubChem CID 112698344) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
PubChem CID112698344
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESCN1CCC(NCCOC(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)14-8-6-12-10-5-7-13(4)9-10/h10,12H,5-9H2,1-4H3
InChIKeyJQXCOJHASZLFOL-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312
1-methyl-N-pent-3-ynylpyrrolidin-3-amine
CID 104806498
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine (CID 112698344) is 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine is CN1CCC(NCCOC(C)(C)C)C1.
What is the InChIKey of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The InChIKey is JQXCOJHASZLFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)14-8-6-12-10-5-7-13(4)9-10/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 112698344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).