(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine

C14H25FN2 — CID 139471562

IUPAC(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
SMILESC=N/C(CCN(CCC)CCC)=C(F)\C=C/C
InChIInChI=1S/C14H25FN2/c1-5-8-13(15)14(16-4)9-12-17(10-6-2)11-7-3/h5,8H,4,6-7,9-12H2,1-3H3/b8-5-,14-13+
InChIKeyLHFVHOVSENQMHS-FCBYNYORSA-N
MW240.37 g/mol
LogP3.96
Rot. Bonds9

About (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine

(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine (PubChem CID 139471562) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
PubChem CID139471562
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
SMILESC=N/C(CCN(CCC)CCC)=C(F)\C=C/C
InChIInChI=1S/C14H25FN2/c1-5-8-13(15)14(16-4)9-12-17(10-6-2)11-7-3/h5,8H,4,6-7,9-12H2,1-3H3/b8-5-,14-13+
InChIKeyLHFVHOVSENQMHS-FCBYNYORSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine (CID 139471562) is (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine is C=N/C(CCN(CCC)CCC)=C(F)\C=C/C.
What is the InChIKey of (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine?
The InChIKey is LHFVHOVSENQMHS-FCBYNYORSA-N. The full InChI is InChI=1S/C14H25FN2/c1-5-8-13(15)14(16-4)9-12-17(10-6-2)11-7-3/h5,8H,4,6-7,9-12H2,1-3H3/b8-5-,14-13+.
What are the key properties of (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine?
(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine is sourced from PubChem (CID 139471562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).