4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C15H26N2O — CID 79110587

IUPAC4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1ccc(CN(C)C2CCC(NC)CC2)o1
InChIInChI=1S/C15H26N2O/c1-4-14-9-10-15(18-14)11-17(3)13-7-5-12(16-2)6-8-13/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeyMFEPYCCIAWGMFW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds5

About 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79110587) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79110587
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1ccc(CN(C)C2CCC(NC)CC2)o1
InChIInChI=1S/C15H26N2O/c1-4-14-9-10-15(18-14)11-17(3)13-7-5-12(16-2)6-8-13/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeyMFEPYCCIAWGMFW-UHFFFAOYSA-N
XLogP2.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79110587) is 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCc1ccc(CN(C)C2CCC(NC)CC2)o1.
What is the InChIKey of 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is MFEPYCCIAWGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14-9-10-15(18-14)11-17(3)13-7-5-12(16-2)6-8-13/h9-10,12-13,16H,4-8,11H2,1-3H3.
What are the key properties of 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).