(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine

C18H32N4O2 — CID 97085962

IUPAC(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(C)n1cc([C@H](C)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C18H32N4O2/c1-14(2)22-12-17(10-20-22)15(3)19-11-18(16-4-7-24-13-16)21-5-8-23-9-6-21/h10,12,14-16,18-19H,4-9,11,13H2,1-3H3/t15-,16+,18-/m0/s1
InChIKeySAMQCZVFIANXJW-JZXOWHBKSA-N
MW336.48 g/mol
LogP1.85
Rot. Bonds7

About (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine

(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 97085962) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
PubChem CID97085962
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(C)n1cc([C@H](C)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C18H32N4O2/c1-14(2)22-12-17(10-20-22)15(3)19-11-18(16-4-7-24-13-16)21-5-8-23-9-6-21/h10,12,14-16,18-19H,4-9,11,13H2,1-3H3/t15-,16+,18-/m0/s1
InChIKeySAMQCZVFIANXJW-JZXOWHBKSA-N
XLogP1.85
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 99849127
N-(dicyclopropylmethyl)-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 75382652
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
CID 94025288
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 124738760
2-morpholin-4-yl-2-(oxolan-3-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 75449073
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021723
1,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021725
1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 31658205
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445
6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55544673
3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
CID 94824919

Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine (CID 97085962) is (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine is CC(C)n1cc([C@H](C)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1.
What is the InChIKey of (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is SAMQCZVFIANXJW-JZXOWHBKSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(2)22-12-17(10-20-22)15(3)19-11-18(16-4-7-24-13-16)21-5-8-23-9-6-21/h10,12,14-16,18-19H,4-9,11,13H2,1-3H3/t15-,16+,18-/m0/s1.
What are the key properties of (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 336.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 97085962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).