3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine

C14H19N3O2 — CID 10801390

IUPAC3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OC(C)C)ccc(OC(C)C)c21
InChIInChI=1S/C14H19N3O2/c1-7(2)18-9-5-6-10(19-8(3)4)12-11(9)13(15)17-14(12)16/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyGNKWFXGEUNAQPK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds4

About 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine

3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine (PubChem CID 10801390) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine.

Molecular Properties

Compound Name3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine
PubChem CID10801390
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OC(C)C)ccc(OC(C)C)c21
InChIInChI=1S/C14H19N3O2/c1-7(2)18-9-5-6-10(19-8(3)4)12-11(9)13(15)17-14(12)16/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyGNKWFXGEUNAQPK-UHFFFAOYSA-N
XLogP2.31
TPSA80.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-imino-4,7-di(propan-2-yloxy)isoindol-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
6-(2,2-Dimethylpropoxy)-1-imino-1H-isoindol-3-amine
CID 13888472
3,9-Dibutoxy-7-imino-14-oxa-6-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaen-5-amine
CID 15282809
5,6-Didodecoxy-3-iminoisoindol-1-amine
CID 10414100
3-Imino-5-propan-2-yloxyisoindol-1-amine
CID 12773071
7-(2,2-Dimethylpropoxy)-3-iminoisoindol-1-amine
CID 15297476
7-Hexoxy-3-iminoisoindol-1-amine
CID 21471047
3-Amino-1-imino-5-methoxy-1H-isoindole
CID 120010
3-Imino-5-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006514
3-Imino-7-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006530
3-Imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine
CID 18964661
3-Imino-7-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]isoindol-1-amine
CID 23363509

Frequently Asked Questions

What is the IUPAC name of 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine?
The IUPAC name of 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine (CID 10801390) is 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine.
What is the SMILES notation for 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine?
The canonical SMILES for 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine is [H]/N=C1\N=C(N)c2c(OC(C)C)ccc(OC(C)C)c21.
What is the InChIKey of 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine?
The InChIKey is GNKWFXGEUNAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-7(2)18-9-5-6-10(19-8(3)4)12-11(9)13(15)17-14(12)16/h5-8H,1-4H3,(H3,15,16,17).
What are the key properties of 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine?
3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4,7-di(propan-2-yloxy)isoindol-1-amine is sourced from PubChem (CID 10801390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).