2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine

C13H24N4O — CID 114707763

IUPAC2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
SMILESCCN1CCOC(Cn2cncc2C(C)(C)N)C1
InChIInChI=1S/C13H24N4O/c1-4-16-5-6-18-11(8-16)9-17-10-15-7-12(17)13(2,3)14/h7,10-11H,4-6,8-9,14H2,1-3H3
InChIKeyIOLFSUMLLSHEJN-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.80
Rot. Bonds4

About 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine

2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 114707763) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID114707763
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
SMILESCCN1CCOC(Cn2cncc2C(C)(C)N)C1
InChIInChI=1S/C13H24N4O/c1-4-16-5-6-18-11(8-16)9-17-10-15-7-12(17)13(2,3)14/h7,10-11H,4-6,8-9,14H2,1-3H3
InChIKeyIOLFSUMLLSHEJN-UHFFFAOYSA-N
XLogP0.80
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444378
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595470
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
1-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 114401128
2,4-diethylmorpholine
CID 58988021

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine (CID 114707763) is 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine is CCN1CCOC(Cn2cncc2C(C)(C)N)C1.
What is the InChIKey of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is IOLFSUMLLSHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-16-5-6-18-11(8-16)9-17-10-15-7-12(17)13(2,3)14/h7,10-11H,4-6,8-9,14H2,1-3H3.
What are the key properties of 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine?
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).