N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine

C24H41NO2 — CID 123283850

IUPACN-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine
SMILESC1CCC(N(COCOC23CC4CC(CC(C4)C2)C3)C2CCCCC2)CC1
InChIInChI=1S/C24H41NO2/c1-3-7-22(8-4-1)25(23-9-5-2-6-10-23)17-26-18-27-24-14-19-11-20(15-24)13-21(12-19)16-24/h19-23H,1-18H2
InChIKeyJEDCAEYOZRWRSF-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.87
Rot. Bonds7

About N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine

N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine (PubChem CID 123283850) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine
PubChem CID123283850
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine
SMILESC1CCC(N(COCOC23CC4CC(CC(C4)C2)C3)C2CCCCC2)CC1
InChIInChI=1S/C24H41NO2/c1-3-7-22(8-4-1)25(23-9-5-2-6-10-23)17-26-18-27-24-14-19-11-20(15-24)13-21(12-19)16-24/h19-23H,1-18H2
InChIKeyJEDCAEYOZRWRSF-UHFFFAOYSA-N
XLogP5.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine?
The IUPAC name of N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine (CID 123283850) is N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine is C1CCC(N(COCOC23CC4CC(CC(C4)C2)C3)C2CCCCC2)CC1.
What is the InChIKey of N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine?
The InChIKey is JEDCAEYOZRWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-7-22(8-4-1)25(23-9-5-2-6-10-23)17-26-18-27-24-14-19-11-20(15-24)13-21(12-19)16-24/h19-23H,1-18H2.
What are the key properties of N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine?
N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine has a molecular weight of 375.60 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 123283850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).