N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide

C7H14IN — CID 141311417

IUPACN-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
SMILESC=CCN(C)CC=C.I
InChIInChI=1S/C7H13N.HI/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H
InChIKeyCMXKXHOFKIHKFZ-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide

N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide (PubChem CID 141311417) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
PubChem CID141311417
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC NameN-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
SMILESC=CCN(C)CC=C.I
InChIInChI=1S/C7H13N.HI/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H
InChIKeyCMXKXHOFKIHKFZ-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide?
The IUPAC name of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide (CID 141311417) is N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide.
What is the SMILES notation for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide?
The canonical SMILES for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide is C=CCN(C)CC=C.I.
What is the InChIKey of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide?
The InChIKey is CMXKXHOFKIHKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.HI/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H.
What are the key properties of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide?
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide has a molecular weight of 239.10 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide is sourced from PubChem (CID 141311417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).