1-iodo-N,N,2-trimethylprop-1-en-1-amine

C6H12IN — CID 10955228

IUPAC1-iodo-N,N,2-trimethylprop-1-en-1-amine
SMILESCC(C)=C(I)N(C)C
InChIInChI=1S/C6H12IN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKeyHTEUKLIVZZZROJ-UHFFFAOYSA-N
MW225.07 g/mol
LogP2.23
Rot. Bonds1

About 1-iodo-N,N,2-trimethylprop-1-en-1-amine

1-iodo-N,N,2-trimethylprop-1-en-1-amine (PubChem CID 10955228) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 1-iodo-N,N,2-trimethylprop-1-en-1-amine.

Molecular Properties

Compound Name1-iodo-N,N,2-trimethylprop-1-en-1-amine
PubChem CID10955228
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name1-iodo-N,N,2-trimethylprop-1-en-1-amine
SMILESCC(C)=C(I)N(C)C
InChIInChI=1S/C6H12IN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKeyHTEUKLIVZZZROJ-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-N,N,2-trimethylprop-1-en-1-amine?
The IUPAC name of 1-iodo-N,N,2-trimethylprop-1-en-1-amine (CID 10955228) is 1-iodo-N,N,2-trimethylprop-1-en-1-amine.
What is the SMILES notation for 1-iodo-N,N,2-trimethylprop-1-en-1-amine?
The canonical SMILES for 1-iodo-N,N,2-trimethylprop-1-en-1-amine is CC(C)=C(I)N(C)C.
What is the InChIKey of 1-iodo-N,N,2-trimethylprop-1-en-1-amine?
The InChIKey is HTEUKLIVZZZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-5(2)6(7)8(3)4/h1-4H3.
What are the key properties of 1-iodo-N,N,2-trimethylprop-1-en-1-amine?
1-iodo-N,N,2-trimethylprop-1-en-1-amine has a molecular weight of 225.07 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N,N,2-trimethylprop-1-en-1-amine is sourced from PubChem (CID 10955228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).