N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine

C11H16N2 — CID 137413282

IUPACN-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine
SMILESC/N=c1\ccccn1/C=C/C(C)C
InChIInChI=1S/C11H16N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h4-10H,1-3H3/b9-7+,12-11+
InChIKeyBDSDLPWPKBTUKZ-RLQODHJXSA-N
MW176.26 g/mol
LogP2.15
Rot. Bonds2

About N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine

N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine (PubChem CID 137413282) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine.

Molecular Properties

Compound NameN-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine
PubChem CID137413282
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine
SMILESC/N=c1\ccccn1/C=C/C(C)C
InChIInChI=1S/C11H16N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h4-10H,1-3H3/b9-7+,12-11+
InChIKeyBDSDLPWPKBTUKZ-RLQODHJXSA-N
XLogP2.15
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine?
The IUPAC name of N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine (CID 137413282) is N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine.
What is the SMILES notation for N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine?
The canonical SMILES for N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine is C/N=c1\ccccn1/C=C/C(C)C.
What is the InChIKey of N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine?
The InChIKey is BDSDLPWPKBTUKZ-RLQODHJXSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h4-10H,1-3H3/b9-7+,12-11+.
What are the key properties of N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine?
N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(E)-3-methylbut-1-enyl]pyridin-2-imine is sourced from PubChem (CID 137413282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).