1-(2-fluorohex-2-enylideneamino)propan-2-amine

C9H17FN2 — CID 91323823

IUPAC1-(2-fluorohex-2-enylideneamino)propan-2-amine
SMILESCCCC=C(F)/C=N/CC(C)N
InChIInChI=1S/C9H17FN2/c1-3-4-5-9(10)7-12-6-8(2)11/h5,7-8H,3-4,6,11H2,1-2H3/b9-5?,12-7+
InChIKeyHJODKWULDPJYOX-FQWZPGBCSA-N
MW172.25 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-fluorohex-2-enylideneamino)propan-2-amine

1-(2-fluorohex-2-enylideneamino)propan-2-amine (PubChem CID 91323823) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(2-fluorohex-2-enylideneamino)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorohex-2-enylideneamino)propan-2-amine
PubChem CID91323823
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(2-fluorohex-2-enylideneamino)propan-2-amine
SMILESCCCC=C(F)/C=N/CC(C)N
InChIInChI=1S/C9H17FN2/c1-3-4-5-9(10)7-12-6-8(2)11/h5,7-8H,3-4,6,11H2,1-2H3/b9-5?,12-7+
InChIKeyHJODKWULDPJYOX-FQWZPGBCSA-N
XLogP2.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorohex-2-enylideneamino)propan-2-amine?
The IUPAC name of 1-(2-fluorohex-2-enylideneamino)propan-2-amine (CID 91323823) is 1-(2-fluorohex-2-enylideneamino)propan-2-amine.
What is the SMILES notation for 1-(2-fluorohex-2-enylideneamino)propan-2-amine?
The canonical SMILES for 1-(2-fluorohex-2-enylideneamino)propan-2-amine is CCCC=C(F)/C=N/CC(C)N.
What is the InChIKey of 1-(2-fluorohex-2-enylideneamino)propan-2-amine?
The InChIKey is HJODKWULDPJYOX-FQWZPGBCSA-N. The full InChI is InChI=1S/C9H17FN2/c1-3-4-5-9(10)7-12-6-8(2)11/h5,7-8H,3-4,6,11H2,1-2H3/b9-5?,12-7+.
What are the key properties of 1-(2-fluorohex-2-enylideneamino)propan-2-amine?
1-(2-fluorohex-2-enylideneamino)propan-2-amine has a molecular weight of 172.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorohex-2-enylideneamino)propan-2-amine is sourced from PubChem (CID 91323823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).