1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine

C16H28N4O2 — CID 20669030

IUPAC1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine
SMILESCC1COC(CNC2CCCCC2NCC2=NC(C)CO2)=N1
InChIInChI=1S/C16H28N4O2/c1-11-9-21-15(19-11)7-17-13-5-3-4-6-14(13)18-8-16-20-12(2)10-22-16/h11-14,17-18H,3-10H2,1-2H3
InChIKeyVWGWYFFWEAZADM-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.11
Rot. Bonds6

About 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine

1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 20669030) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine
PubChem CID20669030
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine
SMILESCC1COC(CNC2CCCCC2NCC2=NC(C)CO2)=N1
InChIInChI=1S/C16H28N4O2/c1-11-9-21-15(19-11)7-17-13-5-3-4-6-14(13)18-8-16-20-12(2)10-22-16/h11-14,17-18H,3-10H2,1-2H3
InChIKeyVWGWYFFWEAZADM-UHFFFAOYSA-N
XLogP1.11
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine (CID 20669030) is 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine is CC1COC(CNC2CCCCC2NCC2=NC(C)CO2)=N1.
What is the InChIKey of 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is VWGWYFFWEAZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-9-21-15(19-11)7-17-13-5-3-4-6-14(13)18-8-16-20-12(2)10-22-16/h11-14,17-18H,3-10H2,1-2H3.
What are the key properties of 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine?
1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 308.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 20669030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).