N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine

C11H16N2 — CID 123279872

IUPACN-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
SMILESC=C1C=CC=CN1/C=N/C(C)CC
InChIInChI=1S/C11H16N2/c1-4-10(2)12-9-13-8-6-5-7-11(13)3/h5-10H,3-4H2,1-2H3/b12-9+
InChIKeyKPEUGUQOTURJFH-FMIVXFBMSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine

N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine (PubChem CID 123279872) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
PubChem CID123279872
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
SMILESC=C1C=CC=CN1/C=N/C(C)CC
InChIInChI=1S/C11H16N2/c1-4-10(2)12-9-13-8-6-5-7-11(13)3/h5-10H,3-4H2,1-2H3/b12-9+
InChIKeyKPEUGUQOTURJFH-FMIVXFBMSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
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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Related Compounds

1-Methyl-6-methylidene-1,6-dihydropyrimidine
CID 57831095
Pyrimido[1,6-a]azepine
CID 71346883
N,N'-bis[(e)-(1-pyridyl)methylene]-1,3-propanediamine
CID 171378066
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
8H-pyrido[1,2-c]pyrimidine
CID 22560221
1-Methyl-4-methylidenepyrimidine
CID 57672168
1-Ethyl-4-methylidenepyrimidine
CID 57672220
1-Tert-butyl-4-methylidenepyrimidine
CID 59212616
N-butyl-1-(2H-pyridin-1-yl)methanimine
CID 67807854
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
4-Butylimidazo[1,5-a]pyridin-4-ium
CID 68830232
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine?
The IUPAC name of N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine (CID 123279872) is N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine.
What is the SMILES notation for N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine?
The canonical SMILES for N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine is C=C1C=CC=CN1/C=N/C(C)CC.
What is the InChIKey of N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine?
The InChIKey is KPEUGUQOTURJFH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10(2)12-9-13-8-6-5-7-11(13)3/h5-10H,3-4H2,1-2H3/b12-9+.
What are the key properties of N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine?
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine is sourced from PubChem (CID 123279872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).