ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine

C11H20N2O2 — CID 174493464

IUPACethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CN)c1cc[nH]c1.CCOC=O
InChIInChI=1S/C8H14N2.C3H6O2/c1-8(2,6-9)7-3-4-10-5-7;1-2-5-3-4/h3-5,10H,6,9H2,1-2H3;3H,2H2,1H3
InChIKeyNYCXMWYRPUVQJI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.43
Rot. Bonds4

About ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine

ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine (PubChem CID 174493464) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Nameethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
PubChem CID174493464
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CN)c1cc[nH]c1.CCOC=O
InChIInChI=1S/C8H14N2.C3H6O2/c1-8(2,6-9)7-3-4-10-5-7;1-2-5-3-4/h3-5,10H,6,9H2,1-2H3;3H,2H2,1H3
InChIKeyNYCXMWYRPUVQJI-UHFFFAOYSA-N
XLogP1.43
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine (CID 174493464) is ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine is CC(C)(CN)c1cc[nH]c1.CCOC=O.
What is the InChIKey of ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is NYCXMWYRPUVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C3H6O2/c1-8(2,6-9)7-3-4-10-5-7;1-2-5-3-4/h3-5,10H,6,9H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 212.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 174493464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).