N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine

C12H25NO2 — CID 66221470

IUPACN-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine
SMILESCOC(CN(C)C1CCCCC1C)OC
InChIInChI=1S/C12H25NO2/c1-10-7-5-6-8-11(10)13(2)9-12(14-3)15-4/h10-12H,5-9H2,1-4H3
InChIKeyCFTQAVKHCHPENB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine

N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine (PubChem CID 66221470) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine
PubChem CID66221470
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine
SMILESCOC(CN(C)C1CCCCC1C)OC
InChIInChI=1S/C12H25NO2/c1-10-7-5-6-8-11(10)13(2)9-12(14-3)15-4/h10-12H,5-9H2,1-4H3
InChIKeyCFTQAVKHCHPENB-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine (CID 66221470) is N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine is COC(CN(C)C1CCCCC1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine?
The InChIKey is CFTQAVKHCHPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-7-5-6-8-11(10)13(2)9-12(14-3)15-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine?
N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66221470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).