N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine

C9H16BrN3 — CID 103102322

IUPACN'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(Br)c[nH]1
InChIInChI=1S/C9H16BrN3/c1-2-13(4-3-11)7-9-5-8(10)6-12-9/h5-6,12H,2-4,7,11H2,1H3
InChIKeyDYMDACZPQPMYKB-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.56
Rot. Bonds5

About N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine

N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102322) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102322
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC NameN'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(Br)c[nH]1
InChIInChI=1S/C9H16BrN3/c1-2-13(4-3-11)7-9-5-8(10)6-12-9/h5-6,12H,2-4,7,11H2,1H3
InChIKeyDYMDACZPQPMYKB-UHFFFAOYSA-N
XLogP1.56
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine
CID 103102226
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N'-ethyl-N'-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
CID 103102090
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine (CID 103102322) is N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cc(Br)c[nH]1.
What is the InChIKey of N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is DYMDACZPQPMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-2-13(4-3-11)7-9-5-8(10)6-12-9/h5-6,12H,2-4,7,11H2,1H3.
What are the key properties of N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 246.15 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).