2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine

C17H19N3 — CID 142859882

IUPAC2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine
SMILESCC(C)c1ccc2c(c1)/C(N)=N\Cc1ccccc1N2
InChIInChI=1S/C17H19N3/c1-11(2)12-7-8-16-14(9-12)17(18)19-10-13-5-3-4-6-15(13)20-16/h3-9,11,20H,10H2,1-2H3,(H2,18,19)
InChIKeyYNVWRKKEORVXSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.77
Rot. Bonds1

About 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine

2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine (PubChem CID 142859882) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine.

Molecular Properties

Compound Name2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine
PubChem CID142859882
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine
SMILESCC(C)c1ccc2c(c1)/C(N)=N\Cc1ccccc1N2
InChIInChI=1S/C17H19N3/c1-11(2)12-7-8-16-14(9-12)17(18)19-10-13-5-3-4-6-15(13)20-16/h3-9,11,20H,10H2,1-2H3,(H2,18,19)
InChIKeyYNVWRKKEORVXSY-UHFFFAOYSA-N
XLogP3.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1,4-dihydroquinazolin-2-yl)ethanamine
CID 95396435
1,4-dihydroquinazolin-2-amine;hydrobromide
CID 45263885
3-methyl-6-propan-2-yl-1H-isoindole
CID 170283669
2,8-di(propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 59610696
N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine
CID 114277273
6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 23876509
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
1,4-dihydroquinazoline-2-sulfonamide
CID 143322836
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385
ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate
CID 150705545
6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135036043
9,10-dihydroacridine
CID 137366999

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine?
The IUPAC name of 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine (CID 142859882) is 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine.
What is the SMILES notation for 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine?
The canonical SMILES for 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine is CC(C)c1ccc2c(c1)/C(N)=N\Cc1ccccc1N2.
What is the InChIKey of 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine?
The InChIKey is YNVWRKKEORVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)12-7-8-16-14(9-12)17(18)19-10-13-5-3-4-6-15(13)20-16/h3-9,11,20H,10H2,1-2H3,(H2,18,19).
What are the key properties of 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine?
2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine has a molecular weight of 265.36 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,10-dihydrobenzo[b][1,5]benzodiazocin-12-amine is sourced from PubChem (CID 142859882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).