[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol

C16H32N2O2 — CID 81214226

IUPAC[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
SMILESCCCNC1CCC(C)CC1CN1CCOC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-3-6-17-16-5-4-13(2)9-14(16)10-18-7-8-20-15(11-18)12-19/h13-17,19H,3-12H2,1-2H3
InChIKeyHDRZZJMKWHTGKI-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.48
Rot. Bonds6

About [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol

[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol (PubChem CID 81214226) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
PubChem CID81214226
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
SMILESCCCNC1CCC(C)CC1CN1CCOC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-3-6-17-16-5-4-13(2)9-14(16)10-18-7-8-20-15(11-18)12-19/h13-17,19H,3-12H2,1-2H3
InChIKeyHDRZZJMKWHTGKI-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol (CID 81214226) is [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol is CCCNC1CCC(C)CC1CN1CCOC(CO)C1.
What is the InChIKey of [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol?
The InChIKey is HDRZZJMKWHTGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-6-17-16-5-4-13(2)9-14(16)10-18-7-8-20-15(11-18)12-19/h13-17,19H,3-12H2,1-2H3.
What are the key properties of [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol?
[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol has a molecular weight of 284.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81214226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).