1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine

C7H14IN — CID 163780323

IUPAC1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine
SMILESCC(C)=C/C=I/C(C)N
InChIInChI=1S/C7H14IN/c1-6(2)4-5-8-7(3)9/h4-5,7H,9H2,1-3H3
InChIKeyMOAOMGRPVIMETA-UHFFFAOYSA-N
MW239.10 g/mol
LogP2.03
Rot. Bonds2

About 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine

1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine (PubChem CID 163780323) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine
PubChem CID163780323
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine
SMILESCC(C)=C/C=I/C(C)N
InChIInChI=1S/C7H14IN/c1-6(2)4-5-8-7(3)9/h4-5,7H,9H2,1-3H3
InChIKeyMOAOMGRPVIMETA-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-(1-aminoethyl)-5-methylhexa-2,4-dienenitrile
CID 129033463
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(E)-N-methoxy-3-methylbut-2-en-1-imine
CID 177464066
(1Z,3Z)-6-methyl-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142529959
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
2,4,6-trimethylhept-5-en-3-amine
CID 58879101
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-methyldeca-2,4,6,8-tetraene
CID 123313204
4-methylhepta-3,5-dien-2-amine
CID 123570929

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine?
The IUPAC name of 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine (CID 163780323) is 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine.
What is the SMILES notation for 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine?
The canonical SMILES for 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine is CC(C)=C/C=I/C(C)N.
What is the InChIKey of 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine?
The InChIKey is MOAOMGRPVIMETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-6(2)4-5-8-7(3)9/h4-5,7H,9H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine?
1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine has a molecular weight of 239.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enylidene-λ3-iodanyl)ethanamine is sourced from PubChem (CID 163780323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).