(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine

C6H14FN3O — CID 176704828

IUPAC(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine
SMILESCCCOC/C(N)=C\N(N)F
InChIInChI=1S/C6H14FN3O/c1-2-3-11-5-6(8)4-10(7)9/h4H,2-3,5,8-9H2,1H3/b6-4+
InChIKeyAQTNLZYNEKUTFY-GQCTYLIASA-N
MW163.20 g/mol
LogP0.27
Rot. Bonds5

About (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine

(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine (PubChem CID 176704828) has the molecular formula C6H14FN3O and a molecular weight of 163.20 g/mol. Its IUPAC name is (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine
PubChem CID176704828
Molecular FormulaC6H14FN3O
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine
SMILESCCCOC/C(N)=C\N(N)F
InChIInChI=1S/C6H14FN3O/c1-2-3-11-5-6(8)4-10(7)9/h4H,2-3,5,8-9H2,1H3/b6-4+
InChIKeyAQTNLZYNEKUTFY-GQCTYLIASA-N
XLogP0.27
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine?
The IUPAC name of (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine (CID 176704828) is (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine.
What is the SMILES notation for (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine?
The canonical SMILES for (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine is CCCOC/C(N)=C\N(N)F.
What is the InChIKey of (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine?
The InChIKey is AQTNLZYNEKUTFY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H14FN3O/c1-2-3-11-5-6(8)4-10(7)9/h4H,2-3,5,8-9H2,1H3/b6-4+.
What are the key properties of (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine?
(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine has a molecular weight of 163.20 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine is sourced from PubChem (CID 176704828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).