N-butan-2-ylpropan-1-imine;ethane

C9H21N — CID 143076356

IUPACN-butan-2-ylpropan-1-imine;ethane
SMILESCC.CC/C=N/C(C)CC
InChIInChI=1S/C7H15N.C2H6/c1-4-6-8-7(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-6+;
InChIKeyYMPQTKHWEAAZJK-WVLIHFOGSA-N
MW143.27 g/mol
LogP3.29
Rot. Bonds3

About N-butan-2-ylpropan-1-imine;ethane

N-butan-2-ylpropan-1-imine;ethane (PubChem CID 143076356) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-butan-2-ylpropan-1-imine;ethane.

Molecular Properties

Compound NameN-butan-2-ylpropan-1-imine;ethane
PubChem CID143076356
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-butan-2-ylpropan-1-imine;ethane
SMILESCC.CC/C=N/C(C)CC
InChIInChI=1S/C7H15N.C2H6/c1-4-6-8-7(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-6+;
InChIKeyYMPQTKHWEAAZJK-WVLIHFOGSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 N-butan-2-ylpropan-1-imine;ethane?
The IUPAC name of N-butan-2-ylpropan-1-imine;ethane (CID 143076356) is N-butan-2-ylpropan-1-imine;ethane.
What is the SMILES notation for N-butan-2-ylpropan-1-imine;ethane?
The canonical SMILES for N-butan-2-ylpropan-1-imine;ethane is CC.CC/C=N/C(C)CC.
What is the InChIKey of N-butan-2-ylpropan-1-imine;ethane?
The InChIKey is YMPQTKHWEAAZJK-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-4-6-8-7(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-6+;.
What are the key properties of N-butan-2-ylpropan-1-imine;ethane?
N-butan-2-ylpropan-1-imine;ethane has a molecular weight of 143.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylpropan-1-imine;ethane is sourced from PubChem (CID 143076356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).