1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine

C20H34N2O4 — CID 86115770

IUPAC1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
SMILESC1CC(CN(CC2CO2)CC2CO2)CCC1CN(CC1CO1)CC1CO1
InChIInChI=1S/C20H34N2O4/c1-2-16(6-22(9-19-13-25-19)10-20-14-26-20)4-3-15(1)5-21(7-17-11-23-17)8-18-12-24-18/h15-20H,1-14H2
InChIKeyDQXFMCBYGKGRGN-UHFFFAOYSA-N
MW366.50 g/mol
LogP0.99
Rot. Bonds12

About 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine

1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine (PubChem CID 86115770) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
PubChem CID86115770
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
SMILESC1CC(CN(CC2CO2)CC2CO2)CCC1CN(CC1CO1)CC1CO1
InChIInChI=1S/C20H34N2O4/c1-2-16(6-22(9-19-13-25-19)10-20-14-26-20)4-3-15(1)5-21(7-17-11-23-17)8-18-12-24-18/h15-20H,1-14H2
InChIKeyDQXFMCBYGKGRGN-UHFFFAOYSA-N
XLogP0.99
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine (CID 86115770) is 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine is C1CC(CN(CC2CO2)CC2CO2)CCC1CN(CC1CO1)CC1CO1.
What is the InChIKey of 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine?
The InChIKey is DQXFMCBYGKGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-2-16(6-22(9-19-13-25-19)10-20-14-26-20)4-3-15(1)5-21(7-17-11-23-17)8-18-12-24-18/h15-20H,1-14H2.
What are the key properties of 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine?
1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine has a molecular weight of 366.50 g/mol, XLogP of 0.99, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine is sourced from PubChem (CID 86115770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).