N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine

C10H19N3 — CID 57152754

IUPACN'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCC1(CCNCCN)C=CC=N1
InChIInChI=1S/C10H19N3/c1-2-10(4-3-7-13-10)5-8-12-9-6-11/h3-4,7,12H,2,5-6,8-9,11H2,1H3
InChIKeyIIIYNBLAUDAQCV-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.71
Rot. Bonds6

About N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine

N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 57152754) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID57152754
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCC1(CCNCCN)C=CC=N1
InChIInChI=1S/C10H19N3/c1-2-10(4-3-7-13-10)5-8-12-9-6-11/h3-4,7,12H,2,5-6,8-9,11H2,1H3
InChIKeyIIIYNBLAUDAQCV-UHFFFAOYSA-N
XLogP0.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Propylpyrrol-2-yl)ethanamine
CID 57077373
N-[2-[2-(2-aminoethyl)pyrrol-2-yl]ethyl]dodecan-1-amine
CID 57254824
2-N,3-N-didodecyl-5-(2-ethylpyrrol-2-yl)pentane-1,2,3,4-tetramine
CID 57266613
N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 90823842
3-N-(2-amino-2-methylpropyl)-3-ethylhex-4-ene-1,3-diamine
CID 132209015
(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine
CID 142041410
2-(2-ethyl-3H-pyridin-2-yl)-N-methylethanamine
CID 143815612
3-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 154934284
2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
CID 158427711

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine (CID 57152754) is N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine is CCC1(CCNCCN)C=CC=N1.
What is the InChIKey of N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is IIIYNBLAUDAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-10(4-3-7-13-10)5-8-12-9-6-11/h3-4,7,12H,2,5-6,8-9,11H2,1H3.
What are the key properties of N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine?
N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 57152754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).