1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

C17H36N2O2 — CID 106045618

IUPAC1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCCCN(C)C(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h14-18,20H,5-13H2,1-4H3
InChIKeySREMOQSRETVXSY-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.26
Rot. Bonds10

About 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (PubChem CID 106045618) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
PubChem CID106045618
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCC1CCC(OCC(O)CNCCCN(C)C(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h14-18,20H,5-13H2,1-4H3
InChIKeySREMOQSRETVXSY-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]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

Related Compounds

1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (CID 106045618) is 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is CC1CCC(OCC(O)CNCCCN(C)C(C)C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The InChIKey is SREMOQSRETVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h14-18,20H,5-13H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is sourced from PubChem (CID 106045618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).