(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine

C10H16FN — CID 143696624

IUPAC(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(/F)C=C(C)C)N(C)C
InChIInChI=1S/C10H16FN/c1-6-10(12(4)5)9(11)7-8(2)3/h6-7H,1H2,2-5H3/b10-9-
InChIKeyXQPRXJVHQDVRKC-KTKRTIGZSA-N
MW169.24 g/mol
LogP2.88
Rot. Bonds3

About (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine

(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine (PubChem CID 143696624) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine
PubChem CID143696624
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(/F)C=C(C)C)N(C)C
InChIInChI=1S/C10H16FN/c1-6-10(12(4)5)9(11)7-8(2)3/h6-7H,1H2,2-5H3/b10-9-
InChIKeyXQPRXJVHQDVRKC-KTKRTIGZSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine (CID 143696624) is (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine is C=C/C(=C(/F)C=C(C)C)N(C)C.
What is the InChIKey of (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine?
The InChIKey is XQPRXJVHQDVRKC-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H16FN/c1-6-10(12(4)5)9(11)7-8(2)3/h6-7H,1H2,2-5H3/b10-9-.
What are the key properties of (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine?
(3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine has a molecular weight of 169.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-N,N,6-trimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 143696624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).