1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

C19H39NO2 — CID 43842319

IUPAC1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1
InChIInChI=1S/C19H39NO2/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6/h13-19,21H,8-12H2,1-7H3
InChIKeyFVWVHROWEIKEIH-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.94
Rot. Bonds8

About 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (PubChem CID 43842319) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
PubChem CID43842319
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1
InChIInChI=1S/C19H39NO2/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6/h13-19,21H,8-12H2,1-7H3
InChIKeyFVWVHROWEIKEIH-UHFFFAOYSA-N
XLogP3.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (CID 43842319) is 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is CC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The InChIKey is FVWVHROWEIKEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6/h13-19,21H,8-12H2,1-7H3.
What are the key properties of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol has a molecular weight of 313.53 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 43842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).