5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine

C7H16N4 — CID 138614511

IUPAC5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
SMILESCN1CC2(N)CNCC2(N)C1
InChIInChI=1S/C7H16N4/c1-11-4-6(8)2-10-3-7(6,9)5-11/h10H,2-5,8-9H2,1H3
InChIKeyAQJNCRFNGFDDEX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-2.07
Rot. Bonds

About 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine

5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine (PubChem CID 138614511) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine.

Molecular Properties

Compound Name5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
PubChem CID138614511
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
SMILESCN1CC2(N)CNCC2(N)C1
InChIInChI=1S/C7H16N4/c1-11-4-6(8)2-10-3-7(6,9)5-11/h10H,2-5,8-9H2,1H3
InChIKeyAQJNCRFNGFDDEX-UHFFFAOYSA-N
XLogP-2.07
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine?
The IUPAC name of 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine (CID 138614511) is 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine.
What is the SMILES notation for 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine?
The canonical SMILES for 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine is CN1CC2(N)CNCC2(N)C1.
What is the InChIKey of 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine?
The InChIKey is AQJNCRFNGFDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-11-4-6(8)2-10-3-7(6,9)5-11/h10H,2-5,8-9H2,1H3.
What are the key properties of 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine?
5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine has a molecular weight of 156.23 g/mol, XLogP of -2.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine is sourced from PubChem (CID 138614511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).