N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine

C9H16N2O — CID 82706620

IUPACN-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
SMILESCCONCc1ccn(CC)c1
InChIInChI=1S/C9H16N2O/c1-3-11-6-5-9(8-11)7-10-12-4-2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyIVOXIBRMUQXQRY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.55
Rot. Bonds5

About N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine

N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine (PubChem CID 82706620) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
PubChem CID82706620
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
SMILESCCONCc1ccn(CC)c1
InChIInChI=1S/C9H16N2O/c1-3-11-6-5-9(8-11)7-10-12-4-2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyIVOXIBRMUQXQRY-UHFFFAOYSA-N
XLogP1.55
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]pyrrol-1-amine
CID 79091051
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline
CID 66398806
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768
N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
CID 66398852
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671
N-[(1-ethylpyrrol-3-yl)methyl]-2-methylbut-3-yn-2-amine
CID 66415005
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine?
The IUPAC name of N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine (CID 82706620) is N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine is CCONCc1ccn(CC)c1.
What is the InChIKey of N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine?
The InChIKey is IVOXIBRMUQXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-6-5-9(8-11)7-10-12-4-2/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine?
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82706620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).