(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one

C19H37N3O3 — CID 70892606

IUPAC(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one
SMILESC/C=C\C(CCNC(O)CCCCNC)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H37N3O3/c1-5-8-17(10-12-21-18(23)9-6-7-11-20-4)19(24)22-13-15(2)25-16(3)14-22/h5,8,15-18,20-21,23H,6-7,9-14H2,1-4H3/b8-5-
InChIKeyUNDUMZYVPYXNES-YVMONPNESA-N
MW355.52 g/mol
LogP1.50
Rot. Bonds11

About (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one

(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one (PubChem CID 70892606) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one
PubChem CID70892606
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Name(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one
SMILESC/C=C\C(CCNC(O)CCCCNC)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H37N3O3/c1-5-8-17(10-12-21-18(23)9-6-7-11-20-4)19(24)22-13-15(2)25-16(3)14-22/h5,8,15-18,20-21,23H,6-7,9-14H2,1-4H3/b8-5-
InChIKeyUNDUMZYVPYXNES-YVMONPNESA-N
XLogP1.50
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one?
The IUPAC name of (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one (CID 70892606) is (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one.
What is the SMILES notation for (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one?
The canonical SMILES for (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one is C/C=C\C(CCNC(O)CCCCNC)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one?
The InChIKey is UNDUMZYVPYXNES-YVMONPNESA-N. The full InChI is InChI=1S/C19H37N3O3/c1-5-8-17(10-12-21-18(23)9-6-7-11-20-4)19(24)22-13-15(2)25-16(3)14-22/h5,8,15-18,20-21,23H,6-7,9-14H2,1-4H3/b8-5-.
What are the key properties of (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one?
(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one has a molecular weight of 355.52 g/mol, XLogP of 1.50, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one is sourced from PubChem (CID 70892606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).