N-(3-methylphenyl)butan-2-imine

C11H15N — CID 54385818

IUPACN-(3-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1cccc(C)c1
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3/b12-10+
InChIKeyVDDUFHOEBLNCHI-ZRDIBKRKSA-N
MW161.25 g/mol
LogP3.50
Rot. Bonds2

About N-(3-methylphenyl)butan-2-imine

N-(3-methylphenyl)butan-2-imine (PubChem CID 54385818) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(3-methylphenyl)butan-2-imine.

Molecular Properties

Compound NameN-(3-methylphenyl)butan-2-imine
PubChem CID54385818
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(3-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1cccc(C)c1
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3/b12-10+
InChIKeyVDDUFHOEBLNCHI-ZRDIBKRKSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
CID 12966219
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane
CID 125450389
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
ethane;propane;1,3-xylene
CID 144528046
4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
CID 12966226
N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine
CID 142052947
ethyl (Z)-3-hydroxy-2-[(3-methylphenyl)diazenyl]but-2-enoate
CID 135473071
N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
CID 151191541
N-hydroxy-N'-(3-methylphenyl)methanimidamide
CID 20763605
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
propan-2-yl 3-methyl-2-(3-methylphenyl)iminobutanoate
CID 159060100

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)butan-2-imine?
The IUPAC name of N-(3-methylphenyl)butan-2-imine (CID 54385818) is N-(3-methylphenyl)butan-2-imine.
What is the SMILES notation for N-(3-methylphenyl)butan-2-imine?
The canonical SMILES for N-(3-methylphenyl)butan-2-imine is CC/C(C)=N/c1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)butan-2-imine?
The InChIKey is VDDUFHOEBLNCHI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3/b12-10+.
What are the key properties of N-(3-methylphenyl)butan-2-imine?
N-(3-methylphenyl)butan-2-imine has a molecular weight of 161.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)butan-2-imine is sourced from PubChem (CID 54385818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).