but-1-ene;propane;propan-2-imine

C10H23N — CID 142132496

IUPACbut-1-ene;propane;propan-2-imine
SMILESC=CCC.CCC.[H]N=C(C)C
InChIInChI=1S/C4H8.C3H7N.C3H8/c1-3-4-2;1-3(2)4;1-3-2/h3H,1,4H2,2H3;4H,1-2H3;3H2,1-2H3
InChIKeyBGFWXRKWGZXPJG-UHFFFAOYSA-N
MW157.30 g/mol
LogP4.04
Rot. Bonds1

About but-1-ene;propane;propan-2-imine

but-1-ene;propane;propan-2-imine (PubChem CID 142132496) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is but-1-ene;propane;propan-2-imine.

Molecular Properties

Compound Namebut-1-ene;propane;propan-2-imine
PubChem CID142132496
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Namebut-1-ene;propane;propan-2-imine
SMILESC=CCC.CCC.[H]N=C(C)C
InChIInChI=1S/C4H8.C3H7N.C3H8/c1-3-4-2;1-3(2)4;1-3-2/h3H,1,4H2,2H3;4H,1-2H3;3H2,1-2H3
InChIKeyBGFWXRKWGZXPJG-UHFFFAOYSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
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;propane;propan-2-imine?
The IUPAC name of but-1-ene;propane;propan-2-imine (CID 142132496) is but-1-ene;propane;propan-2-imine.
What is the SMILES notation for but-1-ene;propane;propan-2-imine?
The canonical SMILES for but-1-ene;propane;propan-2-imine is C=CCC.CCC.[H]N=C(C)C.
What is the InChIKey of but-1-ene;propane;propan-2-imine?
The InChIKey is BGFWXRKWGZXPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H7N.C3H8/c1-3-4-2;1-3(2)4;1-3-2/h3H,1,4H2,2H3;4H,1-2H3;3H2,1-2H3.
What are the key properties of but-1-ene;propane;propan-2-imine?
but-1-ene;propane;propan-2-imine has a molecular weight of 157.30 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;propane;propan-2-imine is sourced from PubChem (CID 142132496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).