N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C13H24N4O — CID 113353975

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCN1CCOC(CNC(C)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-5-6-18-13(10-17)8-14-11(2)12-7-15-16(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3
InChIKeyZXMBGBUPHNSCRA-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.79
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 113353975) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID113353975
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCN1CCOC(CNC(C)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-5-6-18-13(10-17)8-14-11(2)12-7-15-16(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3
InChIKeyZXMBGBUPHNSCRA-UHFFFAOYSA-N
XLogP0.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 113353970
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114399660
1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115899774
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 113353975) is N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CCN1CCOC(CNC(C)c2cnn(C)c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ZXMBGBUPHNSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-5-6-18-13(10-17)8-14-11(2)12-7-15-16(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113353975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).