4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine

C18H36N2O2 — CID 59567145

IUPAC4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine
SMILESCC(C)[C@H](CN1CCOCC1)[C@@H](CN1CCOCC1)C(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)17(13-19-5-9-21-10-6-19)18(16(3)4)14-20-7-11-22-12-8-20/h15-18H,5-14H2,1-4H3/t17-,18-/m0/s1
InChIKeyYLZQJESWZJMGDZ-ROUUACIJSA-N
MW312.50 g/mol
LogP2.20
Rot. Bonds7

About 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine

4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine (PubChem CID 59567145) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine.

Molecular Properties

Compound Name4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine
PubChem CID59567145
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine
SMILESCC(C)[C@H](CN1CCOCC1)[C@@H](CN1CCOCC1)C(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)17(13-19-5-9-21-10-6-19)18(16(3)4)14-20-7-11-22-12-8-20/h15-18H,5-14H2,1-4H3/t17-,18-/m0/s1
InChIKeyYLZQJESWZJMGDZ-ROUUACIJSA-N
XLogP2.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine?
The IUPAC name of 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine (CID 59567145) is 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine.
What is the SMILES notation for 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine?
The canonical SMILES for 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine is CC(C)[C@H](CN1CCOCC1)[C@@H](CN1CCOCC1)C(C)C.
What is the InChIKey of 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine?
The InChIKey is YLZQJESWZJMGDZ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-15(2)17(13-19-5-9-21-10-6-19)18(16(3)4)14-20-7-11-22-12-8-20/h15-18H,5-14H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine?
4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine has a molecular weight of 312.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine is sourced from PubChem (CID 59567145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).