1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol

C13H28N2O2 — CID 113317616

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
SMILESCOCC1CCN(CC(O)CNCC(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)6-14-7-13(16)9-15-5-4-12(8-15)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyFCRSJSPGEVSITN-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.56
Rot. Bonds8

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol

1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113317616) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
PubChem CID113317616
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
SMILESCOCC1CCN(CC(O)CNCC(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)6-14-7-13(16)9-15-5-4-12(8-15)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyFCRSJSPGEVSITN-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 115475413
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol (CID 113317616) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol is COCC1CCN(CC(O)CNCC(C)C)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is FCRSJSPGEVSITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)6-14-7-13(16)9-15-5-4-12(8-15)10-17-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol?
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113317616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).