but-1-en-1-amine;but-2-en-1-amine

C8H18N2 — CID 87879731

IUPACbut-1-en-1-amine;but-2-en-1-amine
SMILESCC=CCN.CCC=CN
InChIInChI=1S/2C4H9N/c2*1-2-3-4-5/h3-4H,2,5H2,1H3;2-3H,4-5H2,1H3
InChIKeyHZFBKDXGGAMVFH-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.39
Rot. Bonds2

About but-1-en-1-amine;but-2-en-1-amine

but-1-en-1-amine;but-2-en-1-amine (PubChem CID 87879731) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is but-1-en-1-amine;but-2-en-1-amine.

Molecular Properties

Compound Namebut-1-en-1-amine;but-2-en-1-amine
PubChem CID87879731
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Namebut-1-en-1-amine;but-2-en-1-amine
SMILESCC=CCN.CCC=CN
InChIInChI=1S/2C4H9N/c2*1-2-3-4-5/h3-4H,2,5H2,1H3;2-3H,4-5H2,1H3
InChIKeyHZFBKDXGGAMVFH-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-en-1-amine;but-2-en-1-amine?
The IUPAC name of but-1-en-1-amine;but-2-en-1-amine (CID 87879731) is but-1-en-1-amine;but-2-en-1-amine.
What is the SMILES notation for but-1-en-1-amine;but-2-en-1-amine?
The canonical SMILES for but-1-en-1-amine;but-2-en-1-amine is CC=CCN.CCC=CN.
What is the InChIKey of but-1-en-1-amine;but-2-en-1-amine?
The InChIKey is HZFBKDXGGAMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9N/c2*1-2-3-4-5/h3-4H,2,5H2,1H3;2-3H,4-5H2,1H3.
What are the key properties of but-1-en-1-amine;but-2-en-1-amine?
but-1-en-1-amine;but-2-en-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-1-amine;but-2-en-1-amine is sourced from PubChem (CID 87879731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).