1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine

C12H26N2O — CID 104761908

IUPAC1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCOC(C)C)C1
InChIInChI=1S/C12H26N2O/c1-4-6-13-12-5-7-14(10-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyBBHYEGMTDAKMGH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine

1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine (PubChem CID 104761908) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
PubChem CID104761908
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCOC(C)C)C1
InChIInChI=1S/C12H26N2O/c1-4-6-13-12-5-7-14(10-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyBBHYEGMTDAKMGH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
CID 55068553
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanesulfonamide
CID 47134700
1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
CID 103461871

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine (CID 104761908) is 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(CCOC(C)C)C1.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine?
The InChIKey is BBHYEGMTDAKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-13-12-5-7-14(10-12)8-9-15-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine?
1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 104761908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).