4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol

C15H32N2O2 — CID 114953566

IUPAC4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC(C)C(C)(C)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-6-16-13(2)14(3,4)11-17(5)12-15(18)7-9-19-10-8-15/h13,16,18H,6-12H2,1-5H3
InChIKeyJGCCXXISYQOYQP-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.48
Rot. Bonds7

About 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol

4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114953566) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol
PubChem CID114953566
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC(C)C(C)(C)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-6-16-13(2)14(3,4)11-17(5)12-15(18)7-9-19-10-8-15/h13,16,18H,6-12H2,1-5H3
InChIKeyJGCCXXISYQOYQP-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
CID 114953606
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylpropanal
CID 114953407
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[(2-hydroxy-3,3-dimethylbutyl)-methylamino]methyl]oxan-4-ol
CID 114265312
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]-2-methylpentanal
CID 114953397
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114950054
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
CID 114953571
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol (CID 114953566) is 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol is CCNC(C)C(C)(C)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is JGCCXXISYQOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-16-13(2)14(3,4)11-17(5)12-15(18)7-9-19-10-8-15/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol?
4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 272.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).