5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine

C10H16N2 — CID 91573404

IUPAC5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine
SMILESCC(C)C1=CC=CCN/C=N\C1
InChIInChI=1S/C10H16N2/c1-9(2)10-5-3-4-6-11-8-12-7-10/h3-5,8-9H,6-7H2,1-2H3,(H,11,12)
InChIKeyAARKRYSWWYFQSY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds1

About 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine

5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine (PubChem CID 91573404) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Name5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine
PubChem CID91573404
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine
SMILESCC(C)C1=CC=CCN/C=N\C1
InChIInChI=1S/C10H16N2/c1-9(2)10-5-3-4-6-11-8-12-7-10/h3-5,8-9H,6-7H2,1-2H3,(H,11,12)
InChIKeyAARKRYSWWYFQSY-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
CID 146593809
(5Z,7Z)-7-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 146601339
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
CID 164543135
N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
CID 166907437
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-[(2R)-3-methylbutan-2-yl]methanimidamide
CID 173870040
N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
CID 143159793
N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide
CID 143159911

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine?
The IUPAC name of 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine (CID 91573404) is 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine.
What is the SMILES notation for 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine?
The canonical SMILES for 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine is CC(C)C1=CC=CCN/C=N\C1.
What is the InChIKey of 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine?
The InChIKey is AARKRYSWWYFQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)10-5-3-4-6-11-8-12-7-10/h3-5,8-9H,6-7H2,1-2H3,(H,11,12).
What are the key properties of 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine?
5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 91573404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).