(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine

C11H23N3O2 — CID 130180452

IUPAC(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
SMILESCNC(/C=C\N)C(OC)N1CCOC[C@@H]1C
InChIInChI=1S/C11H23N3O2/c1-9-8-16-7-6-14(9)11(15-3)10(13-2)4-5-12/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1
InChIKeyQKVXBUVBGXNGIS-POQWCBKCSA-N
MW229.32 g/mol
LogP-0.26
Rot. Bonds5

About (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine

(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine (PubChem CID 130180452) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
PubChem CID130180452
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
SMILESCNC(/C=C\N)C(OC)N1CCOC[C@@H]1C
InChIInChI=1S/C11H23N3O2/c1-9-8-16-7-6-14(9)11(15-3)10(13-2)4-5-12/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1
InChIKeyQKVXBUVBGXNGIS-POQWCBKCSA-N
XLogP-0.26
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine?
The IUPAC name of (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine (CID 130180452) is (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine?
The canonical SMILES for (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine is CNC(/C=C\N)C(OC)N1CCOC[C@@H]1C.
What is the InChIKey of (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine?
The InChIKey is QKVXBUVBGXNGIS-POQWCBKCSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9-8-16-7-6-14(9)11(15-3)10(13-2)4-5-12/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1.
What are the key properties of (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine?
(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine has a molecular weight of 229.32 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine is sourced from PubChem (CID 130180452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).