1-(2-methoxyethyl)cyclohexane-1,4-diamine

C9H20N2O — CID 69350078

IUPAC1-(2-methoxyethyl)cyclohexane-1,4-diamine
SMILESCOCCC1(N)CCC(N)CC1
InChIInChI=1S/C9H20N2O/c1-12-7-6-9(11)4-2-8(10)3-5-9/h8H,2-7,10-11H2,1H3
InChIKeyZGXGVMNJOGXGIH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds3

About 1-(2-methoxyethyl)cyclohexane-1,4-diamine

1-(2-methoxyethyl)cyclohexane-1,4-diamine (PubChem CID 69350078) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexane-1,4-diamine
PubChem CID69350078
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(2-methoxyethyl)cyclohexane-1,4-diamine
SMILESCOCCC1(N)CCC(N)CC1
InChIInChI=1S/C9H20N2O/c1-12-7-6-9(11)4-2-8(10)3-5-9/h8H,2-7,10-11H2,1H3
InChIKeyZGXGVMNJOGXGIH-UHFFFAOYSA-N
XLogP0.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,4-diamine (CID 69350078) is 1-(2-methoxyethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexane-1,4-diamine is COCCC1(N)CCC(N)CC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexane-1,4-diamine?
The InChIKey is ZGXGVMNJOGXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-7-6-9(11)4-2-8(10)3-5-9/h8H,2-7,10-11H2,1H3.
What are the key properties of 1-(2-methoxyethyl)cyclohexane-1,4-diamine?
1-(2-methoxyethyl)cyclohexane-1,4-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 69350078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).