1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol

C16H34N2O2 — CID 62610370

IUPAC1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
SMILESCCCNC1CCC(C)CC1CN(C)CC(O)COC
InChIInChI=1S/C16H34N2O2/c1-5-8-17-16-7-6-13(2)9-14(16)10-18(3)11-15(19)12-20-4/h13-17,19H,5-12H2,1-4H3
InChIKeyWRAHUTDPGXLGDI-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.73
Rot. Bonds9

About 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol

1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol (PubChem CID 62610370) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
PubChem CID62610370
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
SMILESCCCNC1CCC(C)CC1CN(C)CC(O)COC
InChIInChI=1S/C16H34N2O2/c1-5-8-17-16-7-6-13(2)9-14(16)10-18(3)11-15(19)12-20-4/h13-17,19H,5-12H2,1-4H3
InChIKeyWRAHUTDPGXLGDI-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol (CID 62610370) is 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol is CCCNC1CCC(C)CC1CN(C)CC(O)COC.
What is the InChIKey of 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol?
The InChIKey is WRAHUTDPGXLGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-8-17-16-7-6-13(2)9-14(16)10-18(3)11-15(19)12-20-4/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 62610370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).