1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine

C13H27N3 — CID 3378337

IUPAC1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CN1CCCN2CCCC21
InChIInChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3
InChIKeySOQLOPQBSFMPNJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.49
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine

1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine (PubChem CID 3378337) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine
PubChem CID3378337
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CN1CCCN2CCCC21
InChIInChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3
InChIKeySOQLOPQBSFMPNJ-UHFFFAOYSA-N
XLogP1.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine (CID 3378337) is 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine is CC(C)CC(N)CN1CCCN2CCCC21.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine?
The InChIKey is SOQLOPQBSFMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine?
1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 3378337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).