1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C13H27N3O2 — CID 78945365

IUPAC1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCN1CCOC(CNCC(O)CN2CCCC2)C1
InChIInChI=1S/C13H27N3O2/c1-15-6-7-18-13(11-15)9-14-8-12(17)10-16-4-2-3-5-16/h12-14,17H,2-11H2,1H3
InChIKeyUWZXLAQHBQMSKQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.64
Rot. Bonds6

About 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 78945365) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID78945365
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCN1CCOC(CNCC(O)CN2CCCC2)C1
InChIInChI=1S/C13H27N3O2/c1-15-6-7-18-13(11-15)9-14-8-12(17)10-16-4-2-3-5-16/h12-14,17H,2-11H2,1H3
InChIKeyUWZXLAQHBQMSKQ-UHFFFAOYSA-N
XLogP-0.64
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78945247
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 78945233
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
CID 103255442
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
CID 95751208
1-(4-fluorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]ethanol
CID 78945331

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 78945365) is 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is CN1CCOC(CNCC(O)CN2CCCC2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is UWZXLAQHBQMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15-6-7-18-13(11-15)9-14-8-12(17)10-16-4-2-3-5-16/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 257.38 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 78945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).