N-iodobut-3-en-1-amine

C4H8IN — CID 134427978

IUPACN-iodobut-3-en-1-amine
SMILESC=CCCNI
InChIInChI=1S/C4H8IN/c1-2-3-4-6-5/h2,6H,1,3-4H2
InChIKeyBJPRENFVYMRPKG-UHFFFAOYSA-N
MW197.02 g/mol
LogP1.50
Rot. Bonds3

About N-iodobut-3-en-1-amine

N-iodobut-3-en-1-amine (PubChem CID 134427978) has the molecular formula C4H8IN and a molecular weight of 197.02 g/mol. Its IUPAC name is N-iodobut-3-en-1-amine.

Molecular Properties

Compound NameN-iodobut-3-en-1-amine
PubChem CID134427978
Molecular FormulaC4H8IN
Molecular Weight197.02 g/mol
Exact Mass196.97
IUPAC NameN-iodobut-3-en-1-amine
SMILESC=CCCNI
InChIInChI=1S/C4H8IN/c1-2-3-4-6-5/h2,6H,1,3-4H2
InChIKeyBJPRENFVYMRPKG-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chlorobut-3-en-1-amine
CID 12815215
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
N-(2-chloroethyl)but-3-en-1-amine
CID 55287315
N-but-3-enyl-2-iodoacetamide
CID 86212568
N-(methylsulfonimidoyl)but-3-en-1-amine
CID 130382588
N-[(E)-prop-1-enyl]but-3-en-1-amine
CID 143057399
N-ethenylpent-4-en-1-amine
CID 142515999
N-(trihydroxysilylmethyl)but-3-en-1-amine
CID 87682053
CID 87096320
CID 87096320
pent-4-enal
CID 16418
CID 6330603
CID 6330603
N-methylbut-3-en-1-amine;1,4-xylene
CID 153363449

Frequently Asked Questions

What is the IUPAC name of N-iodobut-3-en-1-amine?
The IUPAC name of N-iodobut-3-en-1-amine (CID 134427978) is N-iodobut-3-en-1-amine.
What is the SMILES notation for N-iodobut-3-en-1-amine?
The canonical SMILES for N-iodobut-3-en-1-amine is C=CCCNI.
What is the InChIKey of N-iodobut-3-en-1-amine?
The InChIKey is BJPRENFVYMRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8IN/c1-2-3-4-6-5/h2,6H,1,3-4H2.
What are the key properties of N-iodobut-3-en-1-amine?
N-iodobut-3-en-1-amine has a molecular weight of 197.02 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodobut-3-en-1-amine is sourced from PubChem (CID 134427978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).