3-imino-5-propan-2-yloxyisoindol-1-amine

C11H13N3O — CID 12773071

IUPAC3-imino-5-propan-2-yloxyisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C11H13N3O/c1-6(2)15-7-3-4-8-9(5-7)11(13)14-10(8)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyQRJLAZQDFFJKNO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.52
Rot. Bonds2

About 3-imino-5-propan-2-yloxyisoindol-1-amine

3-imino-5-propan-2-yloxyisoindol-1-amine (PubChem CID 12773071) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-imino-5-propan-2-yloxyisoindol-1-amine.

Molecular Properties

Compound Name3-imino-5-propan-2-yloxyisoindol-1-amine
PubChem CID12773071
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-imino-5-propan-2-yloxyisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C11H13N3O/c1-6(2)15-7-3-4-8-9(5-7)11(13)14-10(8)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyQRJLAZQDFFJKNO-UHFFFAOYSA-N
XLogP1.52
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzenecarboximidamide
CID 229074
Benzamidine, p-butoxy-, monohydrochloride
CID 3015453
1,3-Diimino-5,6-bis(octyloxy)isoindoline
CID 5244914
3-(Benzyloxy)benzene-1-carboximidamide
CID 309357
4-Benzyloxy-benzamidine
CID 9837459
3-Methoxybenzene-1-carboximidamide hydrochloride
CID 12456161
3-Phenoxybenzene-1-carboximidamide
CID 3008889
4-Ethoxy-benzamidine
CID 5048318
3-Methoxy-benzamidine
CID 5108695
4-(3,4-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 9587071
4-ethoxy-N-hydroxy-benzamidine
CID 4549758
N'-hydroxy-4-(propan-2-yloxy)benzene-1-carboximidamide
CID 24692313

Frequently Asked Questions

What is the IUPAC name of 3-imino-5-propan-2-yloxyisoindol-1-amine?
The IUPAC name of 3-imino-5-propan-2-yloxyisoindol-1-amine (CID 12773071) is 3-imino-5-propan-2-yloxyisoindol-1-amine.
What is the SMILES notation for 3-imino-5-propan-2-yloxyisoindol-1-amine?
The canonical SMILES for 3-imino-5-propan-2-yloxyisoindol-1-amine is [H]/N=C1\N=C(N)c2ccc(OC(C)C)cc21.
What is the InChIKey of 3-imino-5-propan-2-yloxyisoindol-1-amine?
The InChIKey is QRJLAZQDFFJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6(2)15-7-3-4-8-9(5-7)11(13)14-10(8)12/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 3-imino-5-propan-2-yloxyisoindol-1-amine?
3-imino-5-propan-2-yloxyisoindol-1-amine has a molecular weight of 203.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-propan-2-yloxyisoindol-1-amine is sourced from PubChem (CID 12773071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).