2-ethyl-2,5-dihydropyrrol-1-amine

C6H12N2 — CID 123625774

IUPAC2-ethyl-2,5-dihydropyrrol-1-amine
SMILESCCC1C=CCN1N
InChIInChI=1S/C6H12N2/c1-2-6-4-3-5-8(6)7/h3-4,6H,2,5,7H2,1H3
InChIKeyHPGXJNHMVLBIJD-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.51
Rot. Bonds1

About 2-ethyl-2,5-dihydropyrrol-1-amine

2-ethyl-2,5-dihydropyrrol-1-amine (PubChem CID 123625774) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-ethyl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name2-ethyl-2,5-dihydropyrrol-1-amine
PubChem CID123625774
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-ethyl-2,5-dihydropyrrol-1-amine
SMILESCCC1C=CCN1N
InChIInChI=1S/C6H12N2/c1-2-6-4-3-5-8(6)7/h3-4,6H,2,5,7H2,1H3
InChIKeyHPGXJNHMVLBIJD-UHFFFAOYSA-N
XLogP0.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dihydropyridin-1(2H)-amine
CID 13534692
1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-amine
CID 57212791
(2R)-2-methyl-2,5-dihydropyrrol-1-amine
CID 67681007
2-Methyl-2,5-dihydropyrrol-1-amine
CID 77335107
6-ethyl-2-methyl-3,6-dihydro-2H-pyridin-1-amine
CID 89197614
2-Propan-2-yl-2,5-dihydropyrrol-1-amine
CID 123365938
1-Hex-4-en-3-yl-1-methylhydrazine
CID 123989746
1-Cyclohexa-2,4-dien-1-yl-1-methylhydrazine
CID 129194267
2,5-Dimethyl-2,5-dihydropyrrol-1-amine
CID 137466749
Ethane;2-methyl-2,5-dihydropyrrol-1-amine
CID 142392343
1-[(Z)-hex-2-enyl]-1-methylhydrazine
CID 144828508
1-Cyclopenta-2,4-dien-1-yl-1-ethylhydrazine
CID 149918330

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 2-ethyl-2,5-dihydropyrrol-1-amine (CID 123625774) is 2-ethyl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 2-ethyl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 2-ethyl-2,5-dihydropyrrol-1-amine is CCC1C=CCN1N.
What is the InChIKey of 2-ethyl-2,5-dihydropyrrol-1-amine?
The InChIKey is HPGXJNHMVLBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-4-3-5-8(6)7/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2-ethyl-2,5-dihydropyrrol-1-amine?
2-ethyl-2,5-dihydropyrrol-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 123625774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).