4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine

C17H34N2O — CID 64570091

IUPAC4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CCC(COC)C1
InChIInChI=1S/C17H34N2O/c1-4-9-18-16-7-6-14(5-2)11-17(16)19-10-8-15(12-19)13-20-3/h14-18H,4-13H2,1-3H3
InChIKeyAFQJSVBOLKEBSK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine

4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine (PubChem CID 64570091) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
PubChem CID64570091
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CCC(COC)C1
InChIInChI=1S/C17H34N2O/c1-4-9-18-16-7-6-14(5-2)11-17(16)19-10-8-15(12-19)13-20-3/h14-18H,4-13H2,1-3H3
InChIKeyAFQJSVBOLKEBSK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 103532460
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
4-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclohexan-1-amine
CID 66393072
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532122
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
N,4-diethyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63469848
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
CID 63609506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine (CID 64570091) is 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1N1CCC(COC)C1.
What is the InChIKey of 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine?
The InChIKey is AFQJSVBOLKEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-9-18-16-7-6-14(5-2)11-17(16)19-10-8-15(12-19)13-20-3/h14-18H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine?
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64570091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).