but-1-ene;ethane;N-methylpropan-2-imine

C10H23N — CID 145296976

IUPACbut-1-ene;ethane;N-methylpropan-2-imine
SMILESC=CCC.CC.CN=C(C)C
InChIInChI=1S/C4H9N.C4H8.C2H6/c1-4(2)5-3;1-3-4-2;1-2/h1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyPCOPZCJATDSKRZ-UHFFFAOYSA-N
MW157.30 g/mol
LogP3.71
Rot. Bonds1

About but-1-ene;ethane;N-methylpropan-2-imine

but-1-ene;ethane;N-methylpropan-2-imine (PubChem CID 145296976) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is but-1-ene;ethane;N-methylpropan-2-imine.

Molecular Properties

Compound Namebut-1-ene;ethane;N-methylpropan-2-imine
PubChem CID145296976
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Namebut-1-ene;ethane;N-methylpropan-2-imine
SMILESC=CCC.CC.CN=C(C)C
InChIInChI=1S/C4H9N.C4H8.C2H6/c1-4(2)5-3;1-3-4-2;1-2/h1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyPCOPZCJATDSKRZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;N-methylpropan-2-imine?
The IUPAC name of but-1-ene;ethane;N-methylpropan-2-imine (CID 145296976) is but-1-ene;ethane;N-methylpropan-2-imine.
What is the SMILES notation for but-1-ene;ethane;N-methylpropan-2-imine?
The canonical SMILES for but-1-ene;ethane;N-methylpropan-2-imine is C=CCC.CC.CN=C(C)C.
What is the InChIKey of but-1-ene;ethane;N-methylpropan-2-imine?
The InChIKey is PCOPZCJATDSKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H8.C2H6/c1-4(2)5-3;1-3-4-2;1-2/h1-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;N-methylpropan-2-imine?
but-1-ene;ethane;N-methylpropan-2-imine has a molecular weight of 157.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;N-methylpropan-2-imine is sourced from PubChem (CID 145296976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).