butan-2-imine;ethane

C6H15N — CID 142132465

IUPACbutan-2-imine;ethane
SMILESCC.[H]/N=C(\C)CC
InChIInChI=1S/C4H9N.C2H6/c1-3-4(2)5;1-2/h5H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyADFGZKMOYWJNKV-FXRZFVDSSA-N
MW101.19 g/mol
LogP2.46
Rot. Bonds1

About butan-2-imine;ethane

butan-2-imine;ethane (PubChem CID 142132465) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is butan-2-imine;ethane.

Molecular Properties

Compound Namebutan-2-imine;ethane
PubChem CID142132465
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namebutan-2-imine;ethane
SMILESCC.[H]/N=C(\C)CC
InChIInChI=1S/C4H9N.C2H6/c1-3-4(2)5;1-2/h5H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyADFGZKMOYWJNKV-FXRZFVDSSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 52.46
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 butan-2-imine;ethane?
The IUPAC name of butan-2-imine;ethane (CID 142132465) is butan-2-imine;ethane.
What is the SMILES notation for butan-2-imine;ethane?
The canonical SMILES for butan-2-imine;ethane is CC.[H]/N=C(\C)CC.
What is the InChIKey of butan-2-imine;ethane?
The InChIKey is ADFGZKMOYWJNKV-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H9N.C2H6/c1-3-4(2)5;1-2/h5H,3H2,1-2H3;1-2H3/b5-4+;.
What are the key properties of butan-2-imine;ethane?
butan-2-imine;ethane has a molecular weight of 101.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-imine;ethane is sourced from PubChem (CID 142132465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).