N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine

C11H16N2 — CID 20601374

IUPACN-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine
SMILESCC(C)=NN1C=CC=CC1=C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)11-7-5-6-8-13(11)12-10(3)4/h5-8H,1-4H3
InChIKeyXLLQSIMWDAQOHQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds1

About N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine

N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine (PubChem CID 20601374) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine.

Molecular Properties

Compound NameN-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine
PubChem CID20601374
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine
SMILESCC(C)=NN1C=CC=CC1=C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)11-7-5-6-8-13(11)12-10(3)4/h5-8H,1-4H3
InChIKeyXLLQSIMWDAQOHQ-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine?
The IUPAC name of N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine (CID 20601374) is N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine.
What is the SMILES notation for N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine?
The canonical SMILES for N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine is CC(C)=NN1C=CC=CC1=C(C)C.
What is the InChIKey of N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine?
The InChIKey is XLLQSIMWDAQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)11-7-5-6-8-13(11)12-10(3)4/h5-8H,1-4H3.
What are the key properties of N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine?
N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine has a molecular weight of 176.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine is sourced from PubChem (CID 20601374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).