N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine

C19H36N4 — CID 155370847

IUPACN-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCC(C)N1CCC(C2(NCC(C)N3C[C@@H]4CNC[C@H]4C3)CC2)C1
InChIInChI=1S/C19H36N4/c1-14(2)22-7-4-18(13-22)19(5-6-19)21-8-15(3)23-11-16-9-20-10-17(16)12-23/h14-18,20-21H,4-13H2,1-3H3/t15?,16-,17-,18?/m0/s1
InChIKeyKRYZVGAOSBPXQJ-SAGYGOJTSA-N
MW320.53 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine

N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine (PubChem CID 155370847) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine
PubChem CID155370847
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC NameN-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCC(C)N1CCC(C2(NCC(C)N3C[C@@H]4CNC[C@H]4C3)CC2)C1
InChIInChI=1S/C19H36N4/c1-14(2)22-7-4-18(13-22)19(5-6-19)21-8-15(3)23-11-16-9-20-10-17(16)12-23/h14-18,20-21H,4-13H2,1-3H3/t15?,16-,17-,18?/m0/s1
InChIKeyKRYZVGAOSBPXQJ-SAGYGOJTSA-N
XLogP1.38
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The IUPAC name of N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine (CID 155370847) is N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The canonical SMILES for N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine is CC(C)N1CCC(C2(NCC(C)N3C[C@@H]4CNC[C@H]4C3)CC2)C1.
What is the InChIKey of N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The InChIKey is KRYZVGAOSBPXQJ-SAGYGOJTSA-N. The full InChI is InChI=1S/C19H36N4/c1-14(2)22-7-4-18(13-22)19(5-6-19)21-8-15(3)23-11-16-9-20-10-17(16)12-23/h14-18,20-21H,4-13H2,1-3H3/t15?,16-,17-,18?/m0/s1.
What are the key properties of N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine?
N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine has a molecular weight of 320.53 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 155370847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).