9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine

C12H19N3 — CID 90969650

IUPAC9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
SMILESCC1C=CC=CC/N=C(/C2CCCN2)N1
InChIInChI=1S/C12H19N3/c1-10-6-3-2-4-8-14-12(15-10)11-7-5-9-13-11/h2-4,6,10-11,13H,5,7-9H2,1H3,(H,14,15)
InChIKeyUNRAAFXXIQCBRF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.24
Rot. Bonds1

About 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine

9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine (PubChem CID 90969650) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Name9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
PubChem CID90969650
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
SMILESCC1C=CC=CC/N=C(/C2CCCN2)N1
InChIInChI=1S/C12H19N3/c1-10-6-3-2-4-8-14-12(15-10)11-7-5-9-13-11/h2-4,6,10-11,13H,5,7-9H2,1H3,(H,14,15)
InChIKeyUNRAAFXXIQCBRF-UHFFFAOYSA-N
XLogP1.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101024438
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CID 23396723
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
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4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
CID 89098003
2-ethyl-3a,7a-dihydro-1H-benzimidazole
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2-butyl-4-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-iodo-4,5-dihydro-1H-imidazole
CID 89226219
(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
CID 90719485
N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
CID 123274400
(2S)-N'-methyl-N-[(3Z)-2-methylhexa-3,5-dien-3-yl]pyrrolidine-2-carboximidamide
CID 129144282
ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 143245948
butane;2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 143637445
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CID 143939515

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine?
The IUPAC name of 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine (CID 90969650) is 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine.
What is the SMILES notation for 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine?
The canonical SMILES for 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine is CC1C=CC=CC/N=C(/C2CCCN2)N1.
What is the InChIKey of 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine?
The InChIKey is UNRAAFXXIQCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-6-3-2-4-8-14-12(15-10)11-7-5-9-13-11/h2-4,6,10-11,13H,5,7-9H2,1H3,(H,14,15).
What are the key properties of 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine?
9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine has a molecular weight of 205.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 90969650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).