6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C16H32N2O2 — CID 103532526

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CC(OC)C(OC)C2)CCCC1(C)C
InChIInChI=1S/C16H32N2O2/c1-6-17-15-12(8-7-9-16(15,2)3)18-10-13(19-4)14(11-18)20-5/h12-15,17H,6-11H2,1-5H3
InChIKeySZCUAJJLNXOXFC-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds5

About 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 103532526) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID103532526
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CC(OC)C(OC)C2)CCCC1(C)C
InChIInChI=1S/C16H32N2O2/c1-6-17-15-12(8-7-9-16(15,2)3)18-10-13(19-4)14(11-18)20-5/h12-15,17H,6-11H2,1-5H3
InChIKeySZCUAJJLNXOXFC-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79828790
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 104958323
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863853
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 104689520
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859927
N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine
CID 79836067
N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79860748
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 79835810

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 103532526) is 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(N2CC(OC)C(OC)C2)CCCC1(C)C.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is SZCUAJJLNXOXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-17-15-12(8-7-9-16(15,2)3)18-10-13(19-4)14(11-18)20-5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103532526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).