1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen

C20H36N2O4 — CID 159462780

IUPAC1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen
SMILESC1CC(CN(CC2CO2)CC2CO2)CC(CN(CC2CO2)CC2CO2)C1.[H][H]
InChIInChI=1S/C20H34N2O4.H2/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20;/h15-20H,1-14H2;1H
InChIKeyLUULJLPCTNWXSE-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.24
Rot. Bonds12

About 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen

1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen (PubChem CID 159462780) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen.

Molecular Properties

Compound Name1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen
PubChem CID159462780
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen
SMILESC1CC(CN(CC2CO2)CC2CO2)CC(CN(CC2CO2)CC2CO2)C1.[H][H]
InChIInChI=1S/C20H34N2O4.H2/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20;/h15-20H,1-14H2;1H
InChIKeyLUULJLPCTNWXSE-UHFFFAOYSA-N
XLogP1.24
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen with MolForge

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Related Compounds

1,3-Cyclohexanedimethanamine, N1,N1,N3,N3-tetrakis(2-oxiranylmethyl)-
CID 106666
1-[3,5-bis[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
CID 13421316
1-cyclohexyl-N,N-bis(oxiran-2-ylmethyl)methanamine
CID 17855521
1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine
CID 19077041
4-[[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]methyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
CID 21838448
N-[[1-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 21896168
1,1-dicyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine
CID 22359737
N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine
CID 23024562
3-[[bis(oxiran-2-ylmethyl)amino]methyl]-3,5,5-trimethyl-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
CID 23051746
1-N,1-N,4-N,4-N-tetrakis(oxiran-2-ylmethyl)-2-propan-2-ylcyclohexane-1,4-diamine
CID 58519966
4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
CID 58835818
1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
CID 86115770

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen?
The IUPAC name of 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen (CID 159462780) is 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen.
What is the SMILES notation for 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen?
The canonical SMILES for 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen is C1CC(CN(CC2CO2)CC2CO2)CC(CN(CC2CO2)CC2CO2)C1.[H][H].
What is the InChIKey of 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen?
The InChIKey is LUULJLPCTNWXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4.H2/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20;/h15-20H,1-14H2;1H.
What are the key properties of 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen?
1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen has a molecular weight of 368.52 g/mol, XLogP of 1.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine;molecular hydrogen is sourced from PubChem (CID 159462780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).