7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine

C13H17N3O — CID 15297476

IUPAC7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCC(C)(C)C)cccc21
InChIInChI=1S/C13H17N3O/c1-13(2,3)7-17-9-6-4-5-8-10(9)12(15)16-11(8)14/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyWUMCVAYAEVAJDD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds2

About 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine

7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine (PubChem CID 15297476) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine
PubChem CID15297476
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCC(C)(C)C)cccc21
InChIInChI=1S/C13H17N3O/c1-13(2,3)7-17-9-6-4-5-8-10(9)12(15)16-11(8)14/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyWUMCVAYAEVAJDD-UHFFFAOYSA-N
XLogP2.16
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine 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

1,3-Diimino-5,6-bis(octyloxy)isoindoline
CID 5244914
3-[[2-[(3-Carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide
CID 44225923
3-(Benzyloxy)benzene-1-carboximidamide
CID 309357
2-Ethoxybenzamidine hydrochloride
CID 12301244
3-Ethoxybenzene-1-carboximidamide
CID 4058756
3-(p-Tolylmethoxy)benzamidine
CID 3008892
Benzoxybenzamidine
CID 12254240
6-(2,2-Dimethylpropoxy)-1-imino-1H-isoindol-3-amine
CID 13888472
6-(4-tert-Butylphenoxy)-1-imino-1H-isoindol-3-amine
CID 14558052
3-(Benzyloxy)benzene-1-carboximidamide hydrochloride
CID 42656920
3-(2-Methoxyethoxy)benzene-1-carboximidamide hydrochloride
CID 42656933
6-Tert-butyl-8-(2-ethylhexoxy)-3-iminobenzo[f]isoindol-1-amine
CID 10915879

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine?
The IUPAC name of 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine (CID 15297476) is 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine.
What is the SMILES notation for 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine?
The canonical SMILES for 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2c(OCC(C)(C)C)cccc21.
What is the InChIKey of 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine?
The InChIKey is WUMCVAYAEVAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)7-17-9-6-4-5-8-10(9)12(15)16-11(8)14/h4-6H,7H2,1-3H3,(H3,14,15,16).
What are the key properties of 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine?
7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine is sourced from PubChem (CID 15297476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).