1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine

C9H16N2 — CID 45088335

IUPAC1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
SMILESCCn1cccc1CN(C)C
InChIInChI=1S/C9H16N2/c1-4-11-7-5-6-9(11)8-10(2)3/h5-7H,4,8H2,1-3H3
InChIKeyJFBHVEAHHRQQJL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.57
Rot. Bonds3

About 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine

1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine (PubChem CID 45088335) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
PubChem CID45088335
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
SMILESCCn1cccc1CN(C)C
InChIInChI=1S/C9H16N2/c1-4-11-7-5-6-9(11)8-10(2)3/h5-7H,4,8H2,1-3H3
InChIKeyJFBHVEAHHRQQJL-UHFFFAOYSA-N
XLogP1.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine (CID 45088335) is 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine is CCn1cccc1CN(C)C.
What is the InChIKey of 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is JFBHVEAHHRQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-11-7-5-6-9(11)8-10(2)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine?
1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 45088335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).