5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol

C14H28N2O3 — CID 66052349

IUPAC5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-15(2)8-12-7-13(18)9-16(12)10-14(11-17)3-5-19-6-4-14/h12-13,17-18H,3-11H2,1-2H3
InChIKeyLDKGOVHKVOPMTJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.23
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 66052349) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol
PubChem CID66052349
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-15(2)8-12-7-13(18)9-16(12)10-14(11-17)3-5-19-6-4-14/h12-13,17-18H,3-11H2,1-2H3
InChIKeyLDKGOVHKVOPMTJ-UHFFFAOYSA-N
XLogP-0.23
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(aminomethyl)cyclopentyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053698
1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053118
5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053309
5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66052929
5-[(dimethylamino)methyl]-1-(oxolan-3-ylmethyl)pyrrolidin-3-ol
CID 66052422
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 66052432
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol (CID 66052349) is 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CC1(CO)CCOCC1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is LDKGOVHKVOPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15(2)8-12-7-13(18)9-16(12)10-14(11-17)3-5-19-6-4-14/h12-13,17-18H,3-11H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 272.39 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).