(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

C13H25N3 — CID 118533785

IUPAC(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESNN1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C13H25N3/c14-16-9-12-7-15(8-13(12)10-16)6-11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+
InChIKeyUGJMFXRSYXFJLP-BETUJISGSA-N
MW223.36 g/mol
LogP1.30
Rot. Bonds2

About (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (PubChem CID 118533785) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
PubChem CID118533785
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESNN1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C13H25N3/c14-16-9-12-7-15(8-13(12)10-16)6-11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+
InChIKeyUGJMFXRSYXFJLP-BETUJISGSA-N
XLogP1.30
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (CID 118533785) is (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is NN1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The InChIKey is UGJMFXRSYXFJLP-BETUJISGSA-N. The full InChI is InChI=1S/C13H25N3/c14-16-9-12-7-15(8-13(12)10-16)6-11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+.
What are the key properties of (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine has a molecular weight of 223.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is sourced from PubChem (CID 118533785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).