5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine

C16H20N4 — CID 144999914

IUPAC5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H20N4/c1-16(2)5-3-12(13(17)8-16)14(18)11-7-10-4-6-19-15(10)20-9-11/h4,6-7,9,18H,3,5,8,17H2,1-2H3,(H,19,20)/b18-14+
InChIKeyFHYQGJVSHDSYJZ-NBVRZTHBSA-N
MW268.36 g/mol
LogP3.35
Rot. Bonds2

About 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine

5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine (PubChem CID 144999914) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine
PubChem CID144999914
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H20N4/c1-16(2)5-3-12(13(17)8-16)14(18)11-7-10-4-6-19-15(10)20-9-11/h4,6-7,9,18H,3,5,8,17H2,1-2H3,(H,19,20)/b18-14+
InChIKeyFHYQGJVSHDSYJZ-NBVRZTHBSA-N
XLogP3.35
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine?
The IUPAC name of 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine (CID 144999914) is 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine.
What is the SMILES notation for 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine?
The canonical SMILES for 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine is [H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cnc2[nH]ccc2c1.
What is the InChIKey of 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine?
The InChIKey is FHYQGJVSHDSYJZ-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2)5-3-12(13(17)8-16)14(18)11-7-10-4-6-19-15(10)20-9-11/h4,6-7,9,18H,3,5,8,17H2,1-2H3,(H,19,20)/b18-14+.
What are the key properties of 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine?
5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine has a molecular weight of 268.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine is sourced from PubChem (CID 144999914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).