1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol

C20H38N2O4 — CID 146179155

IUPAC1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol
SMILESCCOCN(CC1CCCC(CN(CC(C)O)CC2CO2)C1)CC1CO1
InChIInChI=1S/C20H38N2O4/c1-3-24-15-22(12-20-14-26-20)10-18-6-4-5-17(7-18)9-21(8-16(2)23)11-19-13-25-19/h16-20,23H,3-15H2,1-2H3
InChIKeyDTJULUGKJFBWCX-UHFFFAOYSA-N
MW370.53 g/mol
LogP1.57
Rot. Bonds13

About 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol

1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol (PubChem CID 146179155) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol
PubChem CID146179155
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol
SMILESCCOCN(CC1CCCC(CN(CC(C)O)CC2CO2)C1)CC1CO1
InChIInChI=1S/C20H38N2O4/c1-3-24-15-22(12-20-14-26-20)10-18-6-4-5-17(7-18)9-21(8-16(2)23)11-19-13-25-19/h16-20,23H,3-15H2,1-2H3
InChIKeyDTJULUGKJFBWCX-UHFFFAOYSA-N
XLogP1.57
TPSA61.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 134590552
1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen
CID 159462780
1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cycloheptyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
CID 139819103
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
2-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]-7-methylcyclooctyl]-N,N-bis(oxiran-2-ylmethyl)ethanamine
CID 129164529
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
1-[4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)anilino]propan-2-ol
CID 126552700
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol (CID 146179155) is 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol is CCOCN(CC1CCCC(CN(CC(C)O)CC2CO2)C1)CC1CO1.
What is the InChIKey of 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol?
The InChIKey is DTJULUGKJFBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-3-24-15-22(12-20-14-26-20)10-18-6-4-5-17(7-18)9-21(8-16(2)23)11-19-13-25-19/h16-20,23H,3-15H2,1-2H3.
What are the key properties of 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol?
1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol has a molecular weight of 370.53 g/mol, XLogP of 1.57, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 146179155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).