3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

C13H22N2O — CID 115677937

IUPAC3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(NCc2ccoc2)C1
InChIInChI=1S/C13H22N2O/c1-15(2)13-5-3-4-12(8-13)14-9-11-6-7-16-10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3
InChIKeyUFLNYQDXASHFDT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds4

About 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (PubChem CID 115677937) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
PubChem CID115677937
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(NCc2ccoc2)C1
InChIInChI=1S/C13H22N2O/c1-15(2)13-5-3-4-12(8-13)14-9-11-6-7-16-10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3
InChIKeyUFLNYQDXASHFDT-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (CID 115677937) is 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is CN(C)C1CCCC(NCc2ccoc2)C1.
What is the InChIKey of 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is UFLNYQDXASHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)13-5-3-4-12(8-13)14-9-11-6-7-16-10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3.
What are the key properties of 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 115677937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).