3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol

C17H36N2O2 — CID 79914698

IUPAC3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol
SMILESCCNC1C(CN(CCCO)C(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O2/c1-8-18-15-14(16(4,5)21-17(15,6)7)12-19(13(2)3)10-9-11-20/h13-15,18,20H,8-12H2,1-7H3
InChIKeyGZKJEUZPRHVULS-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.26
Rot. Bonds8

About 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol

3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol (PubChem CID 79914698) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol
PubChem CID79914698
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol
SMILESCCNC1C(CN(CCCO)C(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O2/c1-8-18-15-14(16(4,5)21-17(15,6)7)12-19(13(2)3)10-9-11-20/h13-15,18,20H,8-12H2,1-7H3
InChIKeyGZKJEUZPRHVULS-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol (CID 79914698) is 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol is CCNC1C(CN(CCCO)C(C)C)C(C)(C)OC1(C)C.
What is the InChIKey of 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is GZKJEUZPRHVULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-8-18-15-14(16(4,5)21-17(15,6)7)12-19(13(2)3)10-9-11-20/h13-15,18,20H,8-12H2,1-7H3.
What are the key properties of 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol?
3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 300.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 79914698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).