2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine

C12H26N2O — CID 114802641

IUPAC2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(C)(C)OCCN1CCC(CCN)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-11(10-14)4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyKDQXPUKPEHAPII-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine

2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 114802641) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID114802641
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(C)(C)OCCN1CCC(CCN)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-11(10-14)4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyKDQXPUKPEHAPII-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
CID 146606048
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
2,2-dimethyl-3-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 129276743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine (CID 114802641) is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine is CC(C)(C)OCCN1CCC(CCN)C1.
What is the InChIKey of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is KDQXPUKPEHAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-11(10-14)4-6-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine?
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).