1,2-dimethylcyclohexan-1-amine;4-methylmorpholine

C13H28N2O — CID 67592701

IUPAC1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
SMILESCC1CCCCC1(C)N.CN1CCOCC1
InChIInChI=1S/C8H17N.C5H11NO/c1-7-5-3-4-6-8(7,2)9;1-6-2-4-7-5-3-6/h7H,3-6,9H2,1-2H3;2-5H2,1H3
InChIKeyYLFATWGUQBVXBD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds

About 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine

1,2-dimethylcyclohexan-1-amine;4-methylmorpholine (PubChem CID 67592701) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine.

Molecular Properties

Compound Name1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
PubChem CID67592701
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
SMILESCC1CCCCC1(C)N.CN1CCOCC1
InChIInChI=1S/C8H17N.C5H11NO/c1-7-5-3-4-6-8(7,2)9;1-6-2-4-7-5-3-6/h7H,3-6,9H2,1-2H3;2-5H2,1H3
InChIKeyYLFATWGUQBVXBD-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine?
The IUPAC name of 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine (CID 67592701) is 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine.
What is the SMILES notation for 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine?
The canonical SMILES for 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine is CC1CCCCC1(C)N.CN1CCOCC1.
What is the InChIKey of 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine?
The InChIKey is YLFATWGUQBVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H11NO/c1-7-5-3-4-6-8(7,2)9;1-6-2-4-7-5-3-6/h7H,3-6,9H2,1-2H3;2-5H2,1H3.
What are the key properties of 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine?
1,2-dimethylcyclohexan-1-amine;4-methylmorpholine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexan-1-amine;4-methylmorpholine is sourced from PubChem (CID 67592701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).