(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine

C9H16FN — CID 89160188

IUPAC(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine
SMILESC=CC(C)(C)C(N)/C(F)=C\C
InChIInChI=1S/C9H16FN/c1-5-7(10)8(11)9(3,4)6-2/h5-6,8H,2,11H2,1,3-4H3/b7-5+
InChIKeyMNFFMEIVPVBVKZ-FNORWQNLSA-N
MW157.23 g/mol
LogP2.40
Rot. Bonds3

About (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine

(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine (PubChem CID 89160188) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine.

Molecular Properties

Compound Name(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine
PubChem CID89160188
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine
SMILESC=CC(C)(C)C(N)/C(F)=C\C
InChIInChI=1S/C9H16FN/c1-5-7(10)8(11)9(3,4)6-2/h5-6,8H,2,11H2,1,3-4H3/b7-5+
InChIKeyMNFFMEIVPVBVKZ-FNORWQNLSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine?
The IUPAC name of (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine (CID 89160188) is (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine.
What is the SMILES notation for (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine?
The canonical SMILES for (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine is C=CC(C)(C)C(N)/C(F)=C\C.
What is the InChIKey of (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine?
The InChIKey is MNFFMEIVPVBVKZ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-7(10)8(11)9(3,4)6-2/h5-6,8H,2,11H2,1,3-4H3/b7-5+.
What are the key properties of (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine?
(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine has a molecular weight of 157.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine is sourced from PubChem (CID 89160188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).