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

C6H12N2 — CID 143114957

IUPAC3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine
SMILESCC1=NC(N)C(C)C1
InChIInChI=1S/C6H12N2/c1-4-3-5(2)8-6(4)7/h4,6H,3,7H2,1-2H3
InChIKeyZBMWUVPWUOAOAA-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.77
Rot. Bonds

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

3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine (PubChem CID 143114957) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine
PubChem CID143114957
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine
SMILESCC1=NC(N)C(C)C1
InChIInChI=1S/C6H12N2/c1-4-3-5(2)8-6(4)7/h4,6H,3,7H2,1-2H3
InChIKeyZBMWUVPWUOAOAA-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

3,3,5-Trimethyl-2,4-dihydropyrrol-2-amine
CID 14638040
2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
CID 9877353
(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
CID 70254702
4-Cyclopropyl-2,3-dihydroazet-2-amine
CID 88974092
3,4,5-Trimethyl-2,3-dihydropyrrol-4-amine
CID 89035909
5-imino-4-methyl-3,4-dihydro-2H-pyridin-2-amine
CID 90720232
2-(3-Imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
CID 91220991
5-Methyl-3-methyliminohexan-1-amine
CID 123161747
4-Methyl-3-methyliminopentan-2-amine
CID 123248313
2-Methyl-3-methyliminobutan-1-amine
CID 123416575
3,6-Dimethyl-2,3,4,5-tetrahydropyridin-4-amine
CID 123417792
5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine
CID 123443142

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine?
The IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine (CID 143114957) is 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine?
The canonical SMILES for 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine is CC1=NC(N)C(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine?
The InChIKey is ZBMWUVPWUOAOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-3-5(2)8-6(4)7/h4,6H,3,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine?
3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-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 3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-amine is sourced from PubChem (CID 143114957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).