N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine

C12H22N2 — CID 160761937

IUPACN-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
SMILESCCN(CCC1=CCN=C1)CC(C)C
InChIInChI=1S/C12H22N2/c1-4-14(10-11(2)3)8-6-12-5-7-13-9-12/h5,9,11H,4,6-8,10H2,1-3H3
InChIKeyYFZUDFZGWGOBRM-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine

N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine (PubChem CID 160761937) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
PubChem CID160761937
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
SMILESCCN(CCC1=CCN=C1)CC(C)C
InChIInChI=1S/C12H22N2/c1-4-14(10-11(2)3)8-6-12-5-7-13-9-12/h5,9,11H,4,6-8,10H2,1-3H3
InChIKeyYFZUDFZGWGOBRM-UHFFFAOYSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine (CID 160761937) is N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine is CCN(CCC1=CCN=C1)CC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine?
The InChIKey is YFZUDFZGWGOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-14(10-11(2)3)8-6-12-5-7-13-9-12/h5,9,11H,4,6-8,10H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine?
N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 160761937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).