N-propan-2-yl-4H-pyridin-3-imine

C8H12N2 — CID 19384805

IUPACN-propan-2-yl-4H-pyridin-3-imine
SMILESCC(C)/N=C1/C=NC=CC1
InChIInChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3,5-7H,4H2,1-2H3/b10-8+
InChIKeyCQTITOPZYRAKRK-CSKARUKUSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds1

About N-propan-2-yl-4H-pyridin-3-imine

N-propan-2-yl-4H-pyridin-3-imine (PubChem CID 19384805) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-propan-2-yl-4H-pyridin-3-imine.

Molecular Properties

Compound NameN-propan-2-yl-4H-pyridin-3-imine
PubChem CID19384805
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-propan-2-yl-4H-pyridin-3-imine
SMILESCC(C)/N=C1/C=NC=CC1
InChIInChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3,5-7H,4H2,1-2H3/b10-8+
InChIKeyCQTITOPZYRAKRK-CSKARUKUSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
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-propan-2-yl-4H-pyridin-3-imine?
The IUPAC name of N-propan-2-yl-4H-pyridin-3-imine (CID 19384805) is N-propan-2-yl-4H-pyridin-3-imine.
What is the SMILES notation for N-propan-2-yl-4H-pyridin-3-imine?
The canonical SMILES for N-propan-2-yl-4H-pyridin-3-imine is CC(C)/N=C1/C=NC=CC1.
What is the InChIKey of N-propan-2-yl-4H-pyridin-3-imine?
The InChIKey is CQTITOPZYRAKRK-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3,5-7H,4H2,1-2H3/b10-8+.
What are the key properties of N-propan-2-yl-4H-pyridin-3-imine?
N-propan-2-yl-4H-pyridin-3-imine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4H-pyridin-3-imine is sourced from PubChem (CID 19384805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).