N-(methoxymethoxy)cyclohexanamine

C8H17NO2 — CID 87845817

IUPACN-(methoxymethoxy)cyclohexanamine
SMILESCOCONC1CCCCC1
InChIInChI=1S/C8H17NO2/c1-10-7-11-9-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyLUGADFDTQUAONM-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.44
Rot. Bonds4

About N-(methoxymethoxy)cyclohexanamine

N-(methoxymethoxy)cyclohexanamine (PubChem CID 87845817) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(methoxymethoxy)cyclohexanamine.

Molecular Properties

Compound NameN-(methoxymethoxy)cyclohexanamine
PubChem CID87845817
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(methoxymethoxy)cyclohexanamine
SMILESCOCONC1CCCCC1
InChIInChI=1S/C8H17NO2/c1-10-7-11-9-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyLUGADFDTQUAONM-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethoxy)cyclohexanamine?
The IUPAC name of N-(methoxymethoxy)cyclohexanamine (CID 87845817) is N-(methoxymethoxy)cyclohexanamine.
What is the SMILES notation for N-(methoxymethoxy)cyclohexanamine?
The canonical SMILES for N-(methoxymethoxy)cyclohexanamine is COCONC1CCCCC1.
What is the InChIKey of N-(methoxymethoxy)cyclohexanamine?
The InChIKey is LUGADFDTQUAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-7-11-9-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(methoxymethoxy)cyclohexanamine?
N-(methoxymethoxy)cyclohexanamine has a molecular weight of 159.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)cyclohexanamine is sourced from PubChem (CID 87845817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).