2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine

C16H32N2O2 — CID 103532456

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C16H32N2O2/c1-5-6-12-7-8-13(17-2)14(9-12)18-10-15(19-3)16(11-18)20-4/h12-17H,5-11H2,1-4H3
InChIKeyMLBZGGNTBSJSLM-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 103532456) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID103532456
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C16H32N2O2/c1-5-6-12-7-8-13(17-2)14(9-12)18-10-15(19-3)16(11-18)20-4/h12-17H,5-11H2,1-4H3
InChIKeyMLBZGGNTBSJSLM-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine (CID 103532456) is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is MLBZGGNTBSJSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-6-12-7-8-13(17-2)14(9-12)18-10-15(19-3)16(11-18)20-4/h12-17H,5-11H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103532456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).