N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine

C14H28N2O — CID 79618408

IUPACN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(COC)C2)C1
InChIInChI=1S/C14H28N2O/c1-3-15-13-5-4-6-14(9-13)16-8-7-12(10-16)11-17-2/h12-15H,3-11H2,1-2H3
InChIKeyQACVLVOVJPMOJY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine

N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine (PubChem CID 79618408) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
PubChem CID79618408
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(COC)C2)C1
InChIInChI=1S/C14H28N2O/c1-3-15-13-5-4-6-14(9-13)16-8-7-12(10-16)11-17-2/h12-15H,3-11H2,1-2H3
InChIKeyQACVLVOVJPMOJY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
1-cyclobutyl-4-(methoxymethyl)piperidine
CID 131107152
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634425
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
[1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640319
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64741079
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
1-(azetidin-3-yl)-3-(methoxymethyl)pyrrolidine
CID 64599135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine (CID 79618408) is N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine is CCNC1CCCC(N2CCC(COC)C2)C1.
What is the InChIKey of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The InChIKey is QACVLVOVJPMOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-15-13-5-4-6-14(9-13)16-8-7-12(10-16)11-17-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 79618408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).