(5-propan-2-yl-2H-pyridin-1-yl)methanimine

C9H14N2 — CID 167135540

IUPAC(5-propan-2-yl-2H-pyridin-1-yl)methanimine
SMILES[H]/N=C/N1C=C(C(C)C)C=CC1
InChIInChI=1S/C9H14N2/c1-8(2)9-4-3-5-11(6-9)7-10/h3-4,6-8,10H,5H2,1-2H3/b10-7+
InChIKeySCTXEQAGEXKHOS-JXMROGBWSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds2

About (5-propan-2-yl-2H-pyridin-1-yl)methanimine

(5-propan-2-yl-2H-pyridin-1-yl)methanimine (PubChem CID 167135540) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (5-propan-2-yl-2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound Name(5-propan-2-yl-2H-pyridin-1-yl)methanimine
PubChem CID167135540
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(5-propan-2-yl-2H-pyridin-1-yl)methanimine
SMILES[H]/N=C/N1C=C(C(C)C)C=CC1
InChIInChI=1S/C9H14N2/c1-8(2)9-4-3-5-11(6-9)7-10/h3-4,6-8,10H,5H2,1-2H3/b10-7+
InChIKeySCTXEQAGEXKHOS-JXMROGBWSA-N
XLogP2.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-2H-pyridin-1-yl)methanimine?
The IUPAC name of (5-propan-2-yl-2H-pyridin-1-yl)methanimine (CID 167135540) is (5-propan-2-yl-2H-pyridin-1-yl)methanimine.
What is the SMILES notation for (5-propan-2-yl-2H-pyridin-1-yl)methanimine?
The canonical SMILES for (5-propan-2-yl-2H-pyridin-1-yl)methanimine is [H]/N=C/N1C=C(C(C)C)C=CC1.
What is the InChIKey of (5-propan-2-yl-2H-pyridin-1-yl)methanimine?
The InChIKey is SCTXEQAGEXKHOS-JXMROGBWSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)9-4-3-5-11(6-9)7-10/h3-4,6-8,10H,5H2,1-2H3/b10-7+.
What are the key properties of (5-propan-2-yl-2H-pyridin-1-yl)methanimine?
(5-propan-2-yl-2H-pyridin-1-yl)methanimine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 167135540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).