N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine

C11H20N2O — CID 66402534

IUPACN-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCCOC
InChIInChI=1S/C11H20N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h4,6-7,12H,3,5,8-10H2,1-2H3
InChIKeyPKEWNZVWIVJXRX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.63
Rot. Bonds7

About N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine

N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 66402534) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID66402534
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCCOC
InChIInChI=1S/C11H20N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h4,6-7,12H,3,5,8-10H2,1-2H3
InChIKeyPKEWNZVWIVJXRX-UHFFFAOYSA-N
XLogP1.63
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]ethanamine
CID 66401572
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66403711
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine (CID 66402534) is N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1CCCOC.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is PKEWNZVWIVJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h4,6-7,12H,3,5,8-10H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine?
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).