1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine

C14H24N2O — CID 79459068

IUPAC1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
SMILESCc1cc(C(C)NC2CCCC(N)C2)c(C)o1
InChIInChI=1S/C14H24N2O/c1-9-7-14(11(3)17-9)10(2)16-13-6-4-5-12(15)8-13/h7,10,12-13,16H,4-6,8,15H2,1-3H3
InChIKeyULJTVKFNBIJXNC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.82
Rot. Bonds3

About 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459068) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459068
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
SMILESCc1cc(C(C)NC2CCCC(N)C2)c(C)o1
InChIInChI=1S/C14H24N2O/c1-9-7-14(11(3)17-9)10(2)16-13-6-4-5-12(15)8-13/h7,10,12-13,16H,4-6,8,15H2,1-3H3
InChIKeyULJTVKFNBIJXNC-UHFFFAOYSA-N
XLogP2.82
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine (CID 79459068) is 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine is Cc1cc(C(C)NC2CCCC(N)C2)c(C)o1.
What is the InChIKey of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is ULJTVKFNBIJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-7-14(11(3)17-9)10(2)16-13-6-4-5-12(15)8-13/h7,10,12-13,16H,4-6,8,15H2,1-3H3.
What are the key properties of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).