1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine

C18H36N2O — CID 67415166

IUPAC1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(COCC2(N(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C18H36N2O/c1-19(2)17(11-7-5-8-12-17)15-21-16-18(20(3)4)13-9-6-10-14-18/h5-16H2,1-4H3
InChIKeyZCPGEPZLERHKOB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.53
Rot. Bonds6

About 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine

1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 67415166) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID67415166
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(COCC2(N(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C18H36N2O/c1-19(2)17(11-7-5-8-12-17)15-21-16-18(20(3)4)13-9-6-10-14-18/h5-16H2,1-4H3
InChIKeyZCPGEPZLERHKOB-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine (CID 67415166) is 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(COCC2(N(C)C)CCCCC2)CCCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is ZCPGEPZLERHKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-19(2)17(11-7-5-8-12-17)15-21-16-18(20(3)4)13-9-6-10-14-18/h5-16H2,1-4H3.
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine?
1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methoxymethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 67415166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).