1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine

C19H32N2O4 — CID 19077041

IUPAC1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine
SMILESC1CCC(C(N(CC2CO2)CC2CO2)N(CC2CO2)CC2CO2)CC1
InChIInChI=1S/C19H32N2O4/c1-2-4-14(5-3-1)19(20(6-15-10-22-15)7-16-11-23-16)21(8-17-12-24-17)9-18-13-25-18/h14-19H,1-13H2
InChIKeyABVGYNHSINHJFX-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.09
Rot. Bonds11

About 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine

1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine (PubChem CID 19077041) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine
PubChem CID19077041
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine
SMILESC1CCC(C(N(CC2CO2)CC2CO2)N(CC2CO2)CC2CO2)CC1
InChIInChI=1S/C19H32N2O4/c1-2-4-14(5-3-1)19(20(6-15-10-22-15)7-16-11-23-16)21(8-17-12-24-17)9-18-13-25-18/h14-19H,1-13H2
InChIKeyABVGYNHSINHJFX-UHFFFAOYSA-N
XLogP1.09
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.09
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine?
The IUPAC name of 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine (CID 19077041) is 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine.
What is the SMILES notation for 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine?
The canonical SMILES for 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine is C1CCC(C(N(CC2CO2)CC2CO2)N(CC2CO2)CC2CO2)CC1.
What is the InChIKey of 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine?
The InChIKey is ABVGYNHSINHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-2-4-14(5-3-1)19(20(6-15-10-22-15)7-16-11-23-16)21(8-17-12-24-17)9-18-13-25-18/h14-19H,1-13H2.
What are the key properties of 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine?
1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine has a molecular weight of 352.48 g/mol, XLogP of 1.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N,N',N'-tetrakis(oxiran-2-ylmethyl)methanediamine is sourced from PubChem (CID 19077041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).