3,3-dimethyl-2,4-dihydropyrrol-5-amine

C6H12N2 — CID 11815319

IUPAC3,3-dimethyl-2,4-dihydropyrrol-5-amine
SMILESCC1(C)CN=C(N)C1
InChIInChI=1S/C6H12N2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3,(H2,7,8)
InChIKeyMNNRROMROMAXDR-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.77
Rot. Bonds

About 3,3-dimethyl-2,4-dihydropyrrol-5-amine

3,3-dimethyl-2,4-dihydropyrrol-5-amine (PubChem CID 11815319) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydropyrrol-5-amine
PubChem CID11815319
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,3-dimethyl-2,4-dihydropyrrol-5-amine
SMILESCC1(C)CN=C(N)C1
InChIInChI=1S/C6H12N2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3,(H2,7,8)
InChIKeyMNNRROMROMAXDR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochloride
CID 9942127
3-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 15887953
3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine
CID 19049163
3-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 19049080
2-Amino-1-pyrroline
CID 12778904
4,4-Dimethyl-piperidin-(2Z)-ylideneamine
CID 10630842
4-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 19049096
3-Ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
CID 18983366
3-(Difluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
CID 18983383
3-(Fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
CID 18983405
3,3-Bis(fluoromethyl)-2,4-dihydropyrrol-5-amine
CID 18983411
3-Methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine
CID 18983454

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3,3-dimethyl-2,4-dihydropyrrol-5-amine (CID 11815319) is 3,3-dimethyl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3,3-dimethyl-2,4-dihydropyrrol-5-amine is CC1(C)CN=C(N)C1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The InChIKey is MNNRROMROMAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of 3,3-dimethyl-2,4-dihydropyrrol-5-amine?
3,3-dimethyl-2,4-dihydropyrrol-5-amine has a molecular weight of 112.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 11815319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).