N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine

C11H22N2O2 — CID 103532423

IUPACN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
SMILESCOC1CN(CCNC2CC2)CC1OC
InChIInChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)6-5-12-9-3-4-9/h9-12H,3-8H2,1-2H3
InChIKeyZZRGOFQNUSKAFC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.08
Rot. Bonds6

About N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine

N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine (PubChem CID 103532423) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
PubChem CID103532423
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
SMILESCOC1CN(CCNC2CC2)CC1OC
InChIInChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)6-5-12-9-3-4-9/h9-12H,3-8H2,1-2H3
InChIKeyZZRGOFQNUSKAFC-UHFFFAOYSA-N
XLogP0.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol
CID 106673566
N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
CID 103539875
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
(3S,4S)-1-(2-bromoethyl)-3,4-dimethoxypyrrolidine
CID 57053898
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
(3S,4S)-1-(2-chloroethyl)-3,4-dimethoxypyrrolidine;hydrochloride
CID 69418658
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine (CID 103532423) is N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine is COC1CN(CCNC2CC2)CC1OC.
What is the InChIKey of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine?
The InChIKey is ZZRGOFQNUSKAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)6-5-12-9-3-4-9/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine?
N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine has a molecular weight of 214.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 103532423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).