5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol

C13H26N2O2 — CID 66052432

IUPAC5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-14(2)8-11-7-12(16)9-15(11)10-13-5-3-4-6-17-13/h11-13,16H,3-10H2,1-2H3
InChIKeySIHUTQBHPMHHJO-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.55
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 66052432) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
PubChem CID66052432
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-14(2)8-11-7-12(16)9-15(11)10-13-5-3-4-6-17-13/h11-13,16H,3-10H2,1-2H3
InChIKeySIHUTQBHPMHHJO-UHFFFAOYSA-N
XLogP0.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051873
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104643439
1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053118

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol (CID 66052432) is 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CC1CCCCO1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is SIHUTQBHPMHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)8-11-7-12(16)9-15(11)10-13-5-3-4-6-17-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 242.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 66052432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).