4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol

C17H34N2O2 — CID 114953571

IUPAC4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
SMILESCCC(CC)(CNC1CC1)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-4-16(5-2,12-18-15-6-7-15)13-19(3)14-17(20)8-10-21-11-9-17/h15,18,20H,4-14H2,1-3H3
InChIKeyABPWCTVNPFHSLT-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds9

About 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol

4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114953571) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
PubChem CID114953571
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
SMILESCCC(CC)(CNC1CC1)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-4-16(5-2,12-18-15-6-7-15)13-19(3)14-17(20)8-10-21-11-9-17/h15,18,20H,4-14H2,1-3H3
InChIKeyABPWCTVNPFHSLT-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
4-[[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]methyl]oxan-4-ol
CID 114953566
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylpropanal
CID 114953407
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
CID 114953606
1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol
CID 62270951
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol (CID 114953571) is 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol is CCC(CC)(CNC1CC1)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is ABPWCTVNPFHSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-16(5-2,12-18-15-6-7-15)13-19(3)14-17(20)8-10-21-11-9-17/h15,18,20H,4-14H2,1-3H3.
What are the key properties of 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).