5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

C17H34N2O2 — CID 103539183

IUPAC5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN2CC(OC)C(OC)C2)CCC1(C)C
InChIInChI=1S/C17H34N2O2/c1-6-9-18-16-13(7-8-17(16,2)3)10-19-11-14(20-4)15(12-19)21-5/h13-16,18H,6-12H2,1-5H3
InChIKeyXZUURTUEYVFVBN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.14
Rot. Bonds7

About 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 103539183) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID103539183
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN2CC(OC)C(OC)C2)CCC1(C)C
InChIInChI=1S/C17H34N2O2/c1-6-9-18-16-13(7-8-17(16,2)3)10-19-11-14(20-4)15(12-19)21-5/h13-16,18H,6-12H2,1-5H3
InChIKeyXZUURTUEYVFVBN-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 79865591
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 115561967
5-[(2,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855959
2,2-dimethyl-N-propyl-5-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-amine
CID 79855942
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842409
1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 79848410
1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 79852206
N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855421
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 103539183) is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(CN2CC(OC)C(OC)C2)CCC1(C)C.
What is the InChIKey of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is XZUURTUEYVFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-9-18-16-13(7-8-17(16,2)3)10-19-11-14(20-4)15(12-19)21-5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 103539183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).