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

C5H11ClN2 — CID 19049080

IUPAC3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC1CN=C(N)C1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4-2-5(6)7-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyHAGVBOVZONYHRE-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.81
Rot. Bonds

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

3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 19049080) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID19049080
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC1CN=C(N)C1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4-2-5(6)7-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyHAGVBOVZONYHRE-UHFFFAOYSA-N
XLogP0.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine
CID 19049163
2-Amino-1-pyrroline hydrochloride
CID 12778905
2-Amino-1-pyrroline
CID 12778904
3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochloride
CID 9942127
4-Ethyl-pyrrolidin-(2E)-ylideneamine; hydrochloride
CID 10725313
3-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 15887953
4-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 19049096
4-Ethylpyrrolidin-2-imine, monohydrochloride
CID 19049128
3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 18983358
4-amino-2-(fluoromethyl)-N'-methylbutanimidamide
CID 167223913
3,3-Dimethyl-2,4-dihydropyrrol-5-amine
CID 11815319
3,4-dihydro-2H-pyrrol-5-amine;dihydrochloride
CID 17916020

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 19049080) is 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CC1CN=C(N)C1.Cl.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is HAGVBOVZONYHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-4-2-5(6)7-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H.
What are the key properties of 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 19049080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).