2-butyl-3H-isoindol-1-imine;hydrobromide

C12H17BrN2 — CID 118268275

IUPAC2-butyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CCCC
InChIInChI=1S/C12H16N2.BrH/c1-2-3-8-14-9-10-6-4-5-7-11(10)12(14)13;/h4-7,13H,2-3,8-9H2,1H3;1H/b13-12-;
InChIKeyJPRBCFXTANZGRG-USGGBSEESA-N
MW269.19 g/mol
LogP3.21
Rot. Bonds3

About 2-butyl-3H-isoindol-1-imine;hydrobromide

2-butyl-3H-isoindol-1-imine;hydrobromide (PubChem CID 118268275) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-butyl-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-butyl-3H-isoindol-1-imine;hydrobromide
PubChem CID118268275
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-butyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CCCC
InChIInChI=1S/C12H16N2.BrH/c1-2-3-8-14-9-10-6-4-5-7-11(10)12(14)13;/h4-7,13H,2-3,8-9H2,1H3;1H/b13-12-;
InChIKeyJPRBCFXTANZGRG-USGGBSEESA-N
XLogP3.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-butyl-3H-isoindol-1-imine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octadecyl-3H-isoindol-1-imine
CID 118268270
2-(3-methoxypropyl)-3H-isoindol-1-imine
CID 2978825
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
N-[3-(3-imino-1H-isoindol-2-yl)propyl]-N-methylaniline
CID 43079589
2-(cyclopentylmethyl)-3H-isoindol-1-imine
CID 43371148
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3H-isoindol-1-imine
CID 62118103
2-nonyl-3H-isoindol-1-one
CID 132543397
2-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3H-isoindol-1-imine
CID 106402512
2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine
CID 43200228
3-imino-1H-isoindol-2-amine
CID 13380975
(4E)-2-butyl-4-ethylidene-1H-isoquinolin-3-one
CID 11299155
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
CID 63534603

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-butyl-3H-isoindol-1-imine;hydrobromide (CID 118268275) is 2-butyl-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-butyl-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-butyl-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1/c2ccccc2CN1CCCC.
What is the InChIKey of 2-butyl-3H-isoindol-1-imine;hydrobromide?
The InChIKey is JPRBCFXTANZGRG-USGGBSEESA-N. The full InChI is InChI=1S/C12H16N2.BrH/c1-2-3-8-14-9-10-6-4-5-7-11(10)12(14)13;/h4-7,13H,2-3,8-9H2,1H3;1H/b13-12-;.
What are the key properties of 2-butyl-3H-isoindol-1-imine;hydrobromide?
2-butyl-3H-isoindol-1-imine;hydrobromide has a molecular weight of 269.19 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 118268275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).