N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine

C12H23N3 — CID 79100856

IUPACN-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNn1c(C)ccc1C
InChIInChI=1S/C12H23N3/c1-5-14(6-2)10-9-13-15-11(3)7-8-12(15)4/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyQHZGWZZSTOIMGU-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.99
Rot. Bonds6

About N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine

N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 79100856) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID79100856
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNn1c(C)ccc1C
InChIInChI=1S/C12H23N3/c1-5-14(6-2)10-9-13-15-11(3)7-8-12(15)4/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyQHZGWZZSTOIMGU-UHFFFAOYSA-N
XLogP1.99
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine (CID 79100856) is N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNn1c(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is QHZGWZZSTOIMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-14(6-2)10-9-13-15-11(3)7-8-12(15)4/h7-8,13H,5-6,9-10H2,1-4H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine?
N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 79100856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).