3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol

C10H22N2O2 — CID 114761156

IUPAC3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCC(O)CCN(C)CC1(O)CCNC1
InChIInChI=1S/C10H22N2O2/c1-9(13)3-6-12(2)8-10(14)4-5-11-7-10/h9,11,13-14H,3-8H2,1-2H3
InChIKeySSTXZTDCIVVMQF-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.59
Rot. Bonds5

About 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol

3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761156) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761156
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCC(O)CCN(C)CC1(O)CCNC1
InChIInChI=1S/C10H22N2O2/c1-9(13)3-6-12(2)8-10(14)4-5-11-7-10/h9,11,13-14H,3-8H2,1-2H3
InChIKeySSTXZTDCIVVMQF-UHFFFAOYSA-N
XLogP-0.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 114761032
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761139
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761300
N-cyclopropyl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761074
3-[[ethyl(methyl)amino]methyl]piperidin-3-ol
CID 126971368
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
CID 114246107
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761043
3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761278
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 114761399
3-[[2-hydroxyethyl(methyl)amino]methyl]azetidin-3-ol
CID 174558313
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol (CID 114761156) is 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol is CC(O)CCN(C)CC1(O)CCNC1.
What is the InChIKey of 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is SSTXZTDCIVVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(13)3-6-12(2)8-10(14)4-5-11-7-10/h9,11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol?
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 202.30 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).