N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine

C15H28N4O — CID 95352400

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCO[C@H](CNCc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C15H28N4O/c1-5-18-7-8-20-14(11-18)9-16-10-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyWUSLNQYOVWIYPC-CQSZACIVSA-N
MW280.42 g/mol
LogP1.33
Rot. Bonds6

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine (PubChem CID 95352400) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
PubChem CID95352400
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCO[C@H](CNCc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C15H28N4O/c1-5-18-7-8-20-14(11-18)9-16-10-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyWUSLNQYOVWIYPC-CQSZACIVSA-N
XLogP1.33
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine with MolForge

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112705319
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79172170
N-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95278942
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63106546
1-(4-ethylmorpholin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115906891
1-(4-ethylmorpholin-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 114399662
N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 95354246
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,5-difluorobenzonitrile
CID 107039033
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 115883584
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 78809630

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine (CID 95352400) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine is CCN1CCO[C@H](CNCc2c(C)nn(CC)c2C)C1.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine?
The InChIKey is WUSLNQYOVWIYPC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-18-7-8-20-14(11-18)9-16-10-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95352400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).