1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol

C20H41NO2 — CID 19982121

IUPAC1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)C1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C20H41NO2/c1-15(22)12-21(13-16(2)23)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18,22-23H,8-14H2,1-7H3
InChIKeyLPLBFFFXJHUFRW-UHFFFAOYSA-N
MW327.55 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol

1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol (PubChem CID 19982121) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol
PubChem CID19982121
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)C1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C20H41NO2/c1-15(22)12-21(13-16(2)23)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18,22-23H,8-14H2,1-7H3
InChIKeyLPLBFFFXJHUFRW-UHFFFAOYSA-N
XLogP4.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]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-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol (CID 19982121) is 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol is CC(O)CN(CC(C)O)C1CCC(C(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol?
The InChIKey is LPLBFFFXJHUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-15(22)12-21(13-16(2)23)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18,22-23H,8-14H2,1-7H3.
What are the key properties of 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol?
1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol has a molecular weight of 327.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 19982121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).