4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol

C15H30N2O2 — CID 114954279

IUPAC4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC1CCC(N(C)CC2(O)CCOCC2)CC1
InChIInChI=1S/C15H30N2O2/c1-3-16-13-4-6-14(7-5-13)17(2)12-15(18)8-10-19-11-9-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCDSQQOAXIFCLLN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.38
Rot. Bonds5

About 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol

4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114954279) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
PubChem CID114954279
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC1CCC(N(C)CC2(O)CCOCC2)CC1
InChIInChI=1S/C15H30N2O2/c1-3-16-13-4-6-14(7-5-13)17(2)12-15(18)8-10-19-11-9-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCDSQQOAXIFCLLN-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
CID 114952965
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
CID 114953571
1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 79122134
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol (CID 114954279) is 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol is CCNC1CCC(N(C)CC2(O)CCOCC2)CC1.
What is the InChIKey of 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is CDSQQOAXIFCLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-16-13-4-6-14(7-5-13)17(2)12-15(18)8-10-19-11-9-15/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol?
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 270.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).