(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

C14H26N4O — CID 124753447

IUPAC(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCn1cncc1CN(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C14H26N4O/c1-4-17-12-15-9-14(17)11-16(3)10-13(2)18-5-7-19-8-6-18/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyLZTDYTRUGKDKBU-ZDUSSCGKSA-N
MW266.39 g/mol
LogP1.06
Rot. Bonds6

About (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 124753447) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID124753447
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCn1cncc1CN(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C14H26N4O/c1-4-17-12-15-9-14(17)11-16(3)10-13(2)18-5-7-19-8-6-18/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyLZTDYTRUGKDKBU-ZDUSSCGKSA-N
XLogP1.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (CID 124753447) is (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is CCn1cncc1CN(C)C[C@H](C)N1CCOCC1.
What is the InChIKey of (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is LZTDYTRUGKDKBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-17-12-15-9-14(17)11-16(3)10-13(2)18-5-7-19-8-6-18/h9,12-13H,4-8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 124753447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).