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

C17H34N2O2 — CID 103532460

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CC(OC)C(OC)C1
InChIInChI=1S/C17H34N2O2/c1-5-9-18-14-8-7-13(6-2)10-15(14)19-11-16(20-3)17(12-19)21-4/h13-18H,5-12H2,1-4H3
InChIKeyLSYMHXTUNRRIJO-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds7

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

2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 103532460) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID103532460
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CC(OC)C(OC)C1
InChIInChI=1S/C17H34N2O2/c1-5-9-18-14-8-7-13(6-2)10-15(14)19-11-16(20-3)17(12-19)21-4/h13-18H,5-12H2,1-4H3
InChIKeyLSYMHXTUNRRIJO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091
4-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclohexan-1-amine
CID 66393072
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 103532456
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
CID 103537746
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532122
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
N,4-diethyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63469848
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
CID 113335646

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine (CID 103532460) is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1N1CC(OC)C(OC)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is LSYMHXTUNRRIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-9-18-14-8-7-13(6-2)10-15(14)19-11-16(20-3)17(12-19)21-4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 7 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)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103532460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).