N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine

C8H14N2O — CID 82709339

IUPACN-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCCONCc1cccn1C
InChIInChI=1S/C8H14N2O/c1-3-11-9-7-8-5-4-6-10(8)2/h4-6,9H,3,7H2,1-2H3
InChIKeySLGOXHACILLUAO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds4

About N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine

N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 82709339) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID82709339
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCCONCc1cccn1C
InChIInChI=1S/C8H14N2O/c1-3-11-9-7-8-5-4-6-10(8)2/h4-6,9H,3,7H2,1-2H3
InChIKeySLGOXHACILLUAO-UHFFFAOYSA-N
XLogP1.07
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
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-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
CID 83229360
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
3-butoxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 115574170
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129
N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
CID 4719006
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 62132043
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine (CID 82709339) is N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine is CCONCc1cccn1C.
What is the InChIKey of N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is SLGOXHACILLUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-11-9-7-8-5-4-6-10(8)2/h4-6,9H,3,7H2,1-2H3.
What are the key properties of N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine?
N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 82709339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).