N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine

C12H22N4O — CID 50978548

IUPACN-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
SMILESCCN(CCN1CCOCC1)Cc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c1-2-15(11-12-13-3-4-14-12)5-6-16-7-9-17-10-8-16/h3-4H,2,5-11H2,1H3,(H,13,14)
InChIKeyOBQOLSKMHWVXGQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.56
Rot. Bonds6

About N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine

N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 50978548) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID50978548
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
SMILESCCN(CCN1CCOCC1)Cc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c1-2-15(11-12-13-3-4-14-12)5-6-16-7-9-17-10-8-16/h3-4H,2,5-11H2,1H3,(H,13,14)
InChIKeyOBQOLSKMHWVXGQ-UHFFFAOYSA-N
XLogP0.56
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine (CID 50978548) is N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine is CCN(CCN1CCOCC1)Cc1ncc[nH]1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is OBQOLSKMHWVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-15(11-12-13-3-4-14-12)5-6-16-7-9-17-10-8-16/h3-4H,2,5-11H2,1H3,(H,13,14).
What are the key properties of N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 50978548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).