(3-propan-2-yl-4-pyridinyl)methanimine

C9H12N2 — CID 176559448

IUPAC(3-propan-2-yl-4-pyridinyl)methanimine
SMILES[H]/N=C/c1ccncc1C(C)C
InChIInChI=1S/C9H12N2/c1-7(2)9-6-11-4-3-8(9)5-10/h3-7,10H,1-2H3/b10-5+
InChIKeyRKMLUGVFORYCJP-BJMVGYQFSA-N
MW148.21 g/mol
LogP2.20
Rot. Bonds2

About (3-propan-2-yl-4-pyridinyl)methanimine

(3-propan-2-yl-4-pyridinyl)methanimine (PubChem CID 176559448) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3-propan-2-yl-4-pyridinyl)methanimine.

Molecular Properties

Compound Name(3-propan-2-yl-4-pyridinyl)methanimine
PubChem CID176559448
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3-propan-2-yl-4-pyridinyl)methanimine
SMILES[H]/N=C/c1ccncc1C(C)C
InChIInChI=1S/C9H12N2/c1-7(2)9-6-11-4-3-8(9)5-10/h3-7,10H,1-2H3/b10-5+
InChIKeyRKMLUGVFORYCJP-BJMVGYQFSA-N
XLogP2.20
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3-pyridinyl)methanimine
CID 89161625
[(E)-(3-propan-2-yl-4-pyridinyl)methylideneamino] hypoiodite
CID 154930420
[4-(trifluoromethyl)-3-pyridinyl]methanimine
CID 142976342
3-tert-butyl-4-propan-2-ylpyridine
CID 59734411
1-(4-ethenyl-3-pyridinyl)ethanol
CID 20741865
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
2-(3-propan-2-yl-4-pyridinyl)propan-2-ol
CID 115008742
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
CID 177172347
(2-methyl-6-propan-2-ylphenyl)methanimine
CID 130224626
N-ethyl-4-propan-2-ylpyridin-3-amine
CID 142196462
4-propan-2-yl-3-pyridin-4-ylpyridine
CID 138726377

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4-pyridinyl)methanimine?
The IUPAC name of (3-propan-2-yl-4-pyridinyl)methanimine (CID 176559448) is (3-propan-2-yl-4-pyridinyl)methanimine.
What is the SMILES notation for (3-propan-2-yl-4-pyridinyl)methanimine?
The canonical SMILES for (3-propan-2-yl-4-pyridinyl)methanimine is [H]/N=C/c1ccncc1C(C)C.
What is the InChIKey of (3-propan-2-yl-4-pyridinyl)methanimine?
The InChIKey is RKMLUGVFORYCJP-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(2)9-6-11-4-3-8(9)5-10/h3-7,10H,1-2H3/b10-5+.
What are the key properties of (3-propan-2-yl-4-pyridinyl)methanimine?
(3-propan-2-yl-4-pyridinyl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4-pyridinyl)methanimine is sourced from PubChem (CID 176559448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).