1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine

C14H25N3O — CID 114399548

IUPAC1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
SMILESCCN1CCOC(CNCc2ccn(CC)c2)C1
InChIInChI=1S/C14H25N3O/c1-3-16-6-5-13(11-16)9-15-10-14-12-17(4-2)7-8-18-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3
InChIKeyHAZQRQDOPWDKOX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.32
Rot. Bonds6

About 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine

1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine (PubChem CID 114399548) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
PubChem CID114399548
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
SMILESCCN1CCOC(CNCc2ccn(CC)c2)C1
InChIInChI=1S/C14H25N3O/c1-3-16-6-5-13(11-16)9-15-10-14-12-17(4-2)7-8-18-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3
InChIKeyHAZQRQDOPWDKOX-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 114399661
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine (CID 114399548) is 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine is CCN1CCOC(CNCc2ccn(CC)c2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine?
The InChIKey is HAZQRQDOPWDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-16-6-5-13(11-16)9-15-10-14-12-17(4-2)7-8-18-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine?
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 114399548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).