4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine

C12H20N2O — CID 62807618

IUPAC4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1ccoc1)C1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-4-2-11(13)3-5-12/h6-7,9,11-12H,2-5,8,13H2,1H3
InChIKeyYKKIIPOLIKKCJP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.98
Rot. Bonds3

About 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 62807618) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID62807618
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1ccoc1)C1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-4-2-11(13)3-5-12/h6-7,9,11-12H,2-5,8,13H2,1H3
InChIKeyYKKIIPOLIKKCJP-UHFFFAOYSA-N
XLogP1.98
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine (CID 62807618) is 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine is CN(Cc1ccoc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is YKKIIPOLIKKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-4-2-11(13)3-5-12/h6-7,9,11-12H,2-5,8,13H2,1H3.
What are the key properties of 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 62807618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).