butane;1-(2,3-dimethylphenyl)ethanimine

C14H23N — CID 177029537

IUPACbutane;1-(2,3-dimethylphenyl)ethanimine
SMILESCCCC.[H]/N=C(\C)c1cccc(C)c1C
InChIInChI=1S/C10H13N.C4H10/c1-7-5-4-6-10(8(7)2)9(3)11;1-3-4-2/h4-6,11H,1-3H3;3-4H2,1-2H3/b11-9+;
InChIKeyVOLKJKMKCURFGR-LBEJWNQZSA-N
MW205.34 g/mol
LogP4.50
Rot. Bonds2

About butane;1-(2,3-dimethylphenyl)ethanimine

butane;1-(2,3-dimethylphenyl)ethanimine (PubChem CID 177029537) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is butane;1-(2,3-dimethylphenyl)ethanimine.

Molecular Properties

Compound Namebutane;1-(2,3-dimethylphenyl)ethanimine
PubChem CID177029537
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Namebutane;1-(2,3-dimethylphenyl)ethanimine
SMILESCCCC.[H]/N=C(\C)c1cccc(C)c1C
InChIInChI=1S/C10H13N.C4H10/c1-7-5-4-6-10(8(7)2)9(3)11;1-3-4-2/h4-6,11H,1-3H3;3-4H2,1-2H3/b11-9+;
InChIKeyVOLKJKMKCURFGR-LBEJWNQZSA-N
XLogP4.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 butane;1-(2,3-dimethylphenyl)ethanimine?
The IUPAC name of butane;1-(2,3-dimethylphenyl)ethanimine (CID 177029537) is butane;1-(2,3-dimethylphenyl)ethanimine.
What is the SMILES notation for butane;1-(2,3-dimethylphenyl)ethanimine?
The canonical SMILES for butane;1-(2,3-dimethylphenyl)ethanimine is CCCC.[H]/N=C(\C)c1cccc(C)c1C.
What is the InChIKey of butane;1-(2,3-dimethylphenyl)ethanimine?
The InChIKey is VOLKJKMKCURFGR-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H13N.C4H10/c1-7-5-4-6-10(8(7)2)9(3)11;1-3-4-2/h4-6,11H,1-3H3;3-4H2,1-2H3/b11-9+;.
What are the key properties of butane;1-(2,3-dimethylphenyl)ethanimine?
butane;1-(2,3-dimethylphenyl)ethanimine has a molecular weight of 205.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(2,3-dimethylphenyl)ethanimine is sourced from PubChem (CID 177029537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).