(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine

C14H24N4 — CID 143182292

IUPAC(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine
SMILESCN1C[C@]2(C)CCN(C3=CCC(N)C=C3)[C@]2(N)C1
InChIInChI=1S/C14H24N4/c1-13-7-8-18(12-5-3-11(15)4-6-12)14(13,16)10-17(2)9-13/h3,5-6,11H,4,7-10,15-16H2,1-2H3/t11?,13-,14+/m0/s1
InChIKeyYNSVAQQGOZLFED-SBKAZOPESA-N
MW248.37 g/mol
LogP0.47
Rot. Bonds1

About (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine

(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine (PubChem CID 143182292) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine.

Molecular Properties

Compound Name(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine
PubChem CID143182292
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine
SMILESCN1C[C@]2(C)CCN(C3=CCC(N)C=C3)[C@]2(N)C1
InChIInChI=1S/C14H24N4/c1-13-7-8-18(12-5-3-11(15)4-6-12)14(13,16)10-17(2)9-13/h3,5-6,11H,4,7-10,15-16H2,1-2H3/t11?,13-,14+/m0/s1
InChIKeyYNSVAQQGOZLFED-SBKAZOPESA-N
XLogP0.47
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine with MolForge

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Related Compounds

1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine
CID 154457178
4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 123955294
(1R,5R)-3,5,8,8-tetramethyl-3-azabicyclo[3.2.1]octan-1-amine
CID 58477084
1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
CID 160555992
(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 145242260
4-aminocyclohexa-1,5-diene-1-carbonitrile
CID 91284894
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
1,2,3,3-tetramethylpiperidine-2,4-diamine
CID 175486169
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631
1-hydroxy-2,2,4,6,6-pentamethylpiperazine
CID 126542485

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine?
The IUPAC name of (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine (CID 143182292) is (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine.
What is the SMILES notation for (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine?
The canonical SMILES for (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine is CN1C[C@]2(C)CCN(C3=CCC(N)C=C3)[C@]2(N)C1.
What is the InChIKey of (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine?
The InChIKey is YNSVAQQGOZLFED-SBKAZOPESA-N. The full InChI is InChI=1S/C14H24N4/c1-13-7-8-18(12-5-3-11(15)4-6-12)14(13,16)10-17(2)9-13/h3,5-6,11H,4,7-10,15-16H2,1-2H3/t11?,13-,14+/m0/s1.
What are the key properties of (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine?
(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine has a molecular weight of 248.37 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine is sourced from PubChem (CID 143182292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).