N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine

C16H32N2O — CID 79855421

IUPACN-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCC(COC)C2)CCC1(C)C
InChIInChI=1S/C16H32N2O/c1-5-17-15-14(6-8-16(15,2)3)11-18-9-7-13(10-18)12-19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyUQTFTSAGYFNGRL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79855421) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79855421
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCC(COC)C2)CCC1(C)C
InChIInChI=1S/C16H32N2O/c1-5-17-15-14(6-8-16(15,2)3)11-18-9-7-13(10-18)12-19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyUQTFTSAGYFNGRL-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79855421) is N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine is CCNC1C(CN2CCC(COC)C2)CCC1(C)C.
What is the InChIKey of N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is UQTFTSAGYFNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-15-14(6-8-16(15,2)3)11-18-9-7-13(10-18)12-19-4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79855421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).