4-(2-aminoethoxy)-N-methylcyclohexan-1-amine

C9H20N2O — CID 59686777

IUPAC4-(2-aminoethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCCN)CC1
InChIInChI=1S/C9H20N2O/c1-11-8-2-4-9(5-3-8)12-7-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyWOJRFXRWNPYJKW-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds4

About 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine

4-(2-aminoethoxy)-N-methylcyclohexan-1-amine (PubChem CID 59686777) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-methylcyclohexan-1-amine
PubChem CID59686777
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(2-aminoethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCCN)CC1
InChIInChI=1S/C9H20N2O/c1-11-8-2-4-9(5-3-8)12-7-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyWOJRFXRWNPYJKW-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine (CID 59686777) is 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine is CNC1CCC(OCCN)CC1.
What is the InChIKey of 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine?
The InChIKey is WOJRFXRWNPYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-8-2-4-9(5-3-8)12-7-6-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine?
4-(2-aminoethoxy)-N-methylcyclohexan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59686777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).