3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine

C13H26N2O — CID 138459698

IUPAC3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
SMILESCC(C)N1CCC(CC(C)C2(N)COC2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15-5-4-12(7-15)6-11(3)13(14)8-16-9-13/h10-12H,4-9,14H2,1-3H3
InChIKeySXRJBKVWPYYKPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds4

About 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine

3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine (PubChem CID 138459698) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine.

Molecular Properties

Compound Name3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
PubChem CID138459698
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
SMILESCC(C)N1CCC(CC(C)C2(N)COC2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15-5-4-12(7-15)6-11(3)13(14)8-16-9-13/h10-12H,4-9,14H2,1-3H3
InChIKeySXRJBKVWPYYKPK-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine
CID 138722365
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226304

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine?
The IUPAC name of 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine (CID 138459698) is 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine.
What is the SMILES notation for 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine?
The canonical SMILES for 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine is CC(C)N1CCC(CC(C)C2(N)COC2)C1.
What is the InChIKey of 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine?
The InChIKey is SXRJBKVWPYYKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15-5-4-12(7-15)6-11(3)13(14)8-16-9-13/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine?
3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine is sourced from PubChem (CID 138459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).