2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C7H15ClN2 — CID 19049098

IUPAC2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C7H14N2.ClH/c1-3-6-5(2)4-7(8)9-6;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H
InChIKeyPKDLZQNLQBDYIE-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.58
Rot. Bonds1

About 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 19049098) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID19049098
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C7H14N2.ClH/c1-3-6-5(2)4-7(8)9-6;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H
InChIKeyPKDLZQNLQBDYIE-UHFFFAOYSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 19049098) is 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCC1N=C(N)CC1C.Cl.
What is the InChIKey of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is PKDLZQNLQBDYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-3-6-5(2)4-7(8)9-6;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H.
What are the key properties of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 19049098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).