N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine

C13H20N2 — CID 174313569

IUPACN-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/C=CC(C)=CN1[C@H](C)CC
InChIInChI=1S/C13H20N2/c1-6-11(3)15-9-10(2)7-8-13(15)12(4)14-5/h7-9,11H,5-6H2,1-4H3/b13-12-/t11-/m1/s1
InChIKeyDIEZPONKDFPNEO-LPJIALBHSA-N
MW204.32 g/mol
LogP3.49
Rot. Bonds3

About N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine

N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine (PubChem CID 174313569) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine
PubChem CID174313569
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/C=CC(C)=CN1[C@H](C)CC
InChIInChI=1S/C13H20N2/c1-6-11(3)15-9-10(2)7-8-13(15)12(4)14-5/h7-9,11H,5-6H2,1-4H3/b13-12-/t11-/m1/s1
InChIKeyDIEZPONKDFPNEO-LPJIALBHSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.49
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-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine?
The IUPAC name of N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine (CID 174313569) is N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine?
The canonical SMILES for N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine is C=N/C(C)=C1/C=CC(C)=CN1[C@H](C)CC.
What is the InChIKey of N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine?
The InChIKey is DIEZPONKDFPNEO-LPJIALBHSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-11(3)15-9-10(2)7-8-13(15)12(4)14-5/h7-9,11H,5-6H2,1-4H3/b13-12-/t11-/m1/s1.
What are the key properties of N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine?
N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine has a molecular weight of 204.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[1-[(2R)-butan-2-yl]-5-methyl-2-pyridinylidene]ethyl]methanimine is sourced from PubChem (CID 174313569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).