N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine

C10H19N3 — CID 66403495

IUPACN,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
SMILESCNCc1cccn1CCN(C)C
InChIInChI=1S/C10H19N3/c1-11-9-10-5-4-6-13(10)8-7-12(2)3/h4-6,11H,7-9H2,1-3H3
InChIKeyURDNMBRUZMZBLY-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.77
Rot. Bonds5

About N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine

N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine (PubChem CID 66403495) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
PubChem CID66403495
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
SMILESCNCc1cccn1CCN(C)C
InChIInChI=1S/C10H19N3/c1-11-9-10-5-4-6-13(10)8-7-12(2)3/h4-6,11H,7-9H2,1-3H3
InChIKeyURDNMBRUZMZBLY-UHFFFAOYSA-N
XLogP0.77
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine (CID 66403495) is N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine is CNCc1cccn1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine?
The InChIKey is URDNMBRUZMZBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-11-9-10-5-4-6-13(10)8-7-12(2)3/h4-6,11H,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine?
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine is sourced from PubChem (CID 66403495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).