N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C9H16N2 — CID 131214994

IUPACN-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCCN(CC)Cc1cc[nH]c1
InChIInChI=1S/C9H16N2/c1-3-11(4-2)8-9-5-6-10-7-9/h5-7,10H,3-4,8H2,1-2H3
InChIKeyQOXJEHJKWPMWRF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 131214994) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID131214994
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCCN(CC)Cc1cc[nH]c1
InChIInChI=1S/C9H16N2/c1-3-11(4-2)8-9-5-6-10-7-9/h5-7,10H,3-4,8H2,1-2H3
InChIKeyQOXJEHJKWPMWRF-UHFFFAOYSA-N
XLogP1.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-pyrrole;molecular hydrogen
CID 142378632
3-[2,2-dimethylpropyl(1H-pyrrol-3-ylmethyl)amino]propan-1-ol
CID 115882829
N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
CID 127013314
3-pentyl-1H-pyrrole
CID 15599581
1,3-dimethyl-1-(1H-pyrrol-3-ylmethyl)urea
CID 115169243
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381
ethane;3-methyl-1H-pyrrole;propane
CID 144523538
3-methyl-2-[[methyl(1H-pyrrol-3-ylmethyl)amino]methyl]butanenitrile
CID 115254569
3-[(Z)-but-2-enyl]-1H-pyrrole
CID 145123037
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 131214994) is N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is CCN(CC)Cc1cc[nH]c1.
What is the InChIKey of N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is QOXJEHJKWPMWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11(4-2)8-9-5-6-10-7-9/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 131214994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).