3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

C6H12N2 — CID 19049163

IUPAC3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CN=C(N)C1C
InChIInChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyYVPMIGCVKYQACC-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.63
Rot. Bonds

About 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19049163) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19049163
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CN=C(N)C1C
InChIInChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyYVPMIGCVKYQACC-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine
CID 19049061
3-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 19049080
2-Amino-1-pyrroline
CID 12778904
4-Isopropyl-pyrrolidin-(2Z)-ylideneamine
CID 18983431
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-3,4-dihydro-2H-pyrrol-5-amine
CID 11815319

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine (CID 19049163) is 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine is CC1CN=C(N)C1C.
What is the InChIKey of 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YVPMIGCVKYQACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8).
What are the key properties of 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 112.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19049163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).