N-prop-2-enylprop-2-en-1-amine;hydrofluoride

C6H12FN — CID 86146928

IUPACN-prop-2-enylprop-2-en-1-amine;hydrofluoride
SMILESC=CCNCC=C.F
InChIInChI=1S/C6H11N.FH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyULYNWGYZUPUFPZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds4

About N-prop-2-enylprop-2-en-1-amine;hydrofluoride

N-prop-2-enylprop-2-en-1-amine;hydrofluoride (PubChem CID 86146928) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;hydrofluoride.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;hydrofluoride
PubChem CID86146928
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-prop-2-enylprop-2-en-1-amine;hydrofluoride
SMILESC=CCNCC=C.F
InChIInChI=1S/C6H11N.FH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyULYNWGYZUPUFPZ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 31279
CID 31279
CID 69391
CID 69391
CID 66059
CID 66059
CID 521977
CID 521977
CID 520711
CID 520711
CID 72885
CID 72885
CID 12397185
CID 12397185
CID 10396843
CID 10396843
CID 11679809
CID 11679809
CID 13326679
CID 13326679
CID 20193693
CID 20193693
CID 86717695
CID 86717695

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrofluoride?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrofluoride (CID 86146928) is N-prop-2-enylprop-2-en-1-amine;hydrofluoride.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;hydrofluoride?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;hydrofluoride is C=CCNCC=C.F.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;hydrofluoride?
The InChIKey is ULYNWGYZUPUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.FH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;hydrofluoride?
N-prop-2-enylprop-2-en-1-amine;hydrofluoride has a molecular weight of 117.17 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-amine;hydrofluoride is sourced from PubChem (CID 86146928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).