5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

C16H25N3 — CID 128860838

IUPAC5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCC1CC(NC2CC3(CCCCC3)C2)c2nccn21
InChIInChI=1S/C16H25N3/c1-12-9-14(15-17-7-8-19(12)15)18-13-10-16(11-13)5-3-2-4-6-16/h7-8,12-14,18H,2-6,9-11H2,1H3
InChIKeyXHMRFOHMPYHBQE-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.59
Rot. Bonds2

About 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (PubChem CID 128860838) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.

Molecular Properties

Compound Name5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
PubChem CID128860838
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCC1CC(NC2CC3(CCCCC3)C2)c2nccn21
InChIInChI=1S/C16H25N3/c1-12-9-14(15-17-7-8-19(12)15)18-13-10-16(11-13)5-3-2-4-6-16/h7-8,12-14,18H,2-6,9-11H2,1H3
InChIKeyXHMRFOHMPYHBQE-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The IUPAC name of 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (CID 128860838) is 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.
What is the SMILES notation for 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The canonical SMILES for 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is CC1CC(NC2CC3(CCCCC3)C2)c2nccn21.
What is the InChIKey of 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The InChIKey is XHMRFOHMPYHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-9-14(15-17-7-8-19(12)15)18-13-10-16(11-13)5-3-2-4-6-16/h7-8,12-14,18H,2-6,9-11H2,1H3.
What are the key properties of 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine has a molecular weight of 259.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-spiro[3.5]nonan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is sourced from PubChem (CID 128860838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).