[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine

C9H20N2O — CID 137447266

IUPAC[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)OC[C@@H]1C[C@H](CN)CN1
InChIInChI=1S/C9H20N2O/c1-7(2)12-6-9-3-8(4-10)5-11-9/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyUKHUDOJACZAZSE-BDAKNGLRSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds4

About [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine

[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine (PubChem CID 137447266) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine
PubChem CID137447266
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)OC[C@@H]1C[C@H](CN)CN1
InChIInChI=1S/C9H20N2O/c1-7(2)12-6-9-3-8(4-10)5-11-9/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyUKHUDOJACZAZSE-BDAKNGLRSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine (CID 137447266) is [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine is CC(C)OC[C@@H]1C[C@H](CN)CN1.
What is the InChIKey of [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is UKHUDOJACZAZSE-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)12-6-9-3-8(4-10)5-11-9/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine?
[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 137447266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).