4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine

C24H40N2O4 — CID 58835818

IUPAC4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
SMILESC1OC1CN(CC1CO1)C1CCC(C2CCC(N(CC3CO3)CC3CO3)CC2)CC1
InChIInChI=1S/C24H40N2O4/c1-5-19(25(9-21-13-27-21)10-22-14-28-22)6-2-17(1)18-3-7-20(8-4-18)26(11-23-15-29-23)12-24-16-30-24/h17-24H,1-16H2
InChIKeyARKWOUPKQLJZBP-UHFFFAOYSA-N
MW420.59 g/mol
LogP2.30
Rot. Bonds11

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

4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine (PubChem CID 58835818) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
PubChem CID58835818
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine
SMILESC1OC1CN(CC1CO1)C1CCC(C2CCC(N(CC3CO3)CC3CO3)CC2)CC1
InChIInChI=1S/C24H40N2O4/c1-5-19(25(9-21-13-27-21)10-22-14-28-22)6-2-17(1)18-3-7-20(8-4-18)26(11-23-15-29-23)12-24-16-30-24/h17-24H,1-16H2
InChIKeyARKWOUPKQLJZBP-UHFFFAOYSA-N
XLogP2.30
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine (CID 58835818) is 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine is C1OC1CN(CC1CO1)C1CCC(C2CCC(N(CC3CO3)CC3CO3)CC2)CC1.
What is the InChIKey of 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ARKWOUPKQLJZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-5-19(25(9-21-13-27-21)10-22-14-28-22)6-2-17(1)18-3-7-20(8-4-18)26(11-23-15-29-23)12-24-16-30-24/h17-24H,1-16H2.
What are the key properties of 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine?
4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 420.59 g/mol, XLogP of 2.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 58835818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).