4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine

C14H28N2O — CID 79113521

IUPAC4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-14(2)10-13(8-9-17-14)16(3)12-6-4-11(15)5-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyNKKCFAMMGUFXSL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds2

About 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79113521) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79113521
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-14(2)10-13(8-9-17-14)16(3)12-6-4-11(15)5-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyNKKCFAMMGUFXSL-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine (CID 79113521) is 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1CCOC(C)(C)C1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is NKKCFAMMGUFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)10-13(8-9-17-14)16(3)12-6-4-11(15)5-7-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79113521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).