ethane;N-(2-methylphenyl)butan-2-imine

C13H21N — CID 142132579

IUPACethane;N-(2-methylphenyl)butan-2-imine
SMILESCC.CC/C(C)=N/c1ccccc1C
InChIInChI=1S/C11H15N.C2H6/c1-4-10(3)12-11-8-6-5-7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b12-10+;
InChIKeyGYZVTPQUIQLYEU-VHPXAQPISA-N
MW191.32 g/mol
LogP4.52
Rot. Bonds2

About ethane;N-(2-methylphenyl)butan-2-imine

ethane;N-(2-methylphenyl)butan-2-imine (PubChem CID 142132579) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)butan-2-imine.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)butan-2-imine
PubChem CID142132579
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;N-(2-methylphenyl)butan-2-imine
SMILESCC.CC/C(C)=N/c1ccccc1C
InChIInChI=1S/C11H15N.C2H6/c1-4-10(3)12-11-8-6-5-7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b12-10+;
InChIKeyGYZVTPQUIQLYEU-VHPXAQPISA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.52
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'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
methyl 3-(2-methylphenyl)iminobutanoate
CID 54292999
N-(2-butylphenyl)butan-2-imine
CID 142019981
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N-(2-fluoro-6-methylphenyl)butan-2-imine
CID 142004237
ethane;ethyl 3-ethoxy-3-(2-methylphenyl)iminopropanoate
CID 143167011
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid
CID 91325310
(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine
CID 144822377
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
ethyl-(2-methylphenyl)diazene
CID 145391472

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)butan-2-imine?
The IUPAC name of ethane;N-(2-methylphenyl)butan-2-imine (CID 142132579) is ethane;N-(2-methylphenyl)butan-2-imine.
What is the SMILES notation for ethane;N-(2-methylphenyl)butan-2-imine?
The canonical SMILES for ethane;N-(2-methylphenyl)butan-2-imine is CC.CC/C(C)=N/c1ccccc1C.
What is the InChIKey of ethane;N-(2-methylphenyl)butan-2-imine?
The InChIKey is GYZVTPQUIQLYEU-VHPXAQPISA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-10(3)12-11-8-6-5-7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b12-10+;.
What are the key properties of ethane;N-(2-methylphenyl)butan-2-imine?
ethane;N-(2-methylphenyl)butan-2-imine has a molecular weight of 191.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)butan-2-imine is sourced from PubChem (CID 142132579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).