N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine

C6H13N3 — CID 66490513

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine
SMILESNCCNC1=NCCC1
InChIInChI=1S/C6H13N3/c7-3-5-9-6-2-1-4-8-6/h1-5,7H2,(H,8,9)
InChIKeyRPOBWCCQYMLYDT-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.27
Rot. Bonds2

About N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine

N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine (PubChem CID 66490513) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine
PubChem CID66490513
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine
SMILESNCCNC1=NCCC1
InChIInChI=1S/C6H13N3/c7-3-5-9-6-2-1-4-8-6/h1-5,7H2,(H,8,9)
InChIKeyRPOBWCCQYMLYDT-UHFFFAOYSA-N
XLogP-0.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1H-Imidazole, 2-ethyl-4,5-dihydro-5-methyl-
CID 13604
4,5-Dihydro-2-pentyl-1H-imidazole
CID 12782
1H-Imidazole, 4,5-dihydro-2,5-dimethyl-
CID 102522
2-[(4S)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]ethanamine;hydrobromide
CID 136184122
1,4-Diazepan-5-imine
CID 18721714
(4,5-dihydro-1H-imidazol-2-yl)methanamine dihydrochloride
CID 12621845
N-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 136277051
N-methylpyrrolidin-2-imine;hydroiodide
CID 136609989

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine (CID 66490513) is N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine is NCCNC1=NCCC1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine?
The InChIKey is RPOBWCCQYMLYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-3-5-9-6-2-1-4-8-6/h1-5,7H2,(H,8,9).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine?
N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 66490513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).