1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine

C11H20N2O — CID 66406679

IUPAC1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
SMILESCCOCCn1cccc1CC(C)N
InChIInChI=1S/C11H20N2O/c1-3-14-8-7-13-6-4-5-11(13)9-10(2)12/h4-6,10H,3,7-9,12H2,1-2H3
InChIKeyDNQZBCCZJSGGPE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.41
Rot. Bonds6

About 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine

1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine (PubChem CID 66406679) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
PubChem CID66406679
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
SMILESCCOCCn1cccc1CC(C)N
InChIInChI=1S/C11H20N2O/c1-3-14-8-7-13-6-4-5-11(13)9-10(2)12/h4-6,10H,3,7-9,12H2,1-2H3
InChIKeyDNQZBCCZJSGGPE-UHFFFAOYSA-N
XLogP1.41
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.41
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

4-(2-(2-Pyridyl)ethyl)morpholine
CID 95909
Pyrrole, 1-(2-(2-(diethylamino)ethoxy)ethyl)-2,5-dimethyl-
CID 260021
1-methyl-1H-pyrrole-2-ethylamine
CID 565058
4-[(1-methyl-1H-pyrrol-2-yl)carbonothioyl]morpholine
CID 951953
N-cyclohexyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11948784
N-cyclopentyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11948910
2-(1-Phenylpyrrol-2-yl)ethanamine
CID 13589646
4-[(1H-pyrrol-2-yl)methyl]morpholine
CID 66636594
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
Morpholinium, 4-methyl-4-(2-(2-pyridyl)ethyl)-, iodide
CID 201818
Morpholinium, 4-methyl-4-(2-(1-methylpyridinium-2-yl)ethyl)-, diiodide
CID 202009
Pyrrole, 1-(2-(2-(dimethylamino)ethoxy)ethyl)-2,5-dimethyl-
CID 260022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine (CID 66406679) is 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine is CCOCCn1cccc1CC(C)N.
What is the InChIKey of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine?
The InChIKey is DNQZBCCZJSGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-14-8-7-13-6-4-5-11(13)9-10(2)12/h4-6,10H,3,7-9,12H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine?
1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine has a molecular weight of 196.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66406679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).