N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine

C13H22N2O2 — CID 66402405

IUPACN-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOCCOCCn1cccc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-16-9-10-17-8-7-15-6-2-3-13(15)11-14-12-4-5-12/h2-3,6,12,14H,4-5,7-11H2,1H3
InChIKeyGAQYBJKSIHTXDS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds9

About N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66402405) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66402405
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCOCCOCCn1cccc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-16-9-10-17-8-7-15-6-2-3-13(15)11-14-12-4-5-12/h2-3,6,12,14H,4-5,7-11H2,1H3
InChIKeyGAQYBJKSIHTXDS-UHFFFAOYSA-N
XLogP1.40
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
N-[[1-(2-phenoxyethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66403366
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66402405) is N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine is COCCOCCn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is GAQYBJKSIHTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-9-10-17-8-7-15-6-2-3-13(15)11-14-12-4-5-12/h2-3,6,12,14H,4-5,7-11H2,1H3.
What are the key properties of N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 238.33 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66402405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).