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

C9H19ClN2 — CID 45261766

IUPAC2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C9H18N2.ClH/c1-3-4-5-8-7(2)6-9(10)11-8;/h7-8H,3-6H2,1-2H3,(H2,10,11);1H
InChIKeyLZUMPBAFPSELNB-UHFFFAOYSA-N
MW190.72 g/mol
LogP2.36
Rot. Bonds3

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

2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 45261766) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID45261766
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C9H18N2.ClH/c1-3-4-5-8-7(2)6-9(10)11-8;/h7-8H,3-6H2,1-2H3,(H2,10,11);1H
InChIKeyLZUMPBAFPSELNB-UHFFFAOYSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 45261766) is 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCCCC1N=C(N)CC1C.Cl.
What is the InChIKey of 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is LZUMPBAFPSELNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.ClH/c1-3-4-5-8-7(2)6-9(10)11-8;/h7-8H,3-6H2,1-2H3,(H2,10,11);1H.
What are the key properties of 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 190.72 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 45261766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).