(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine

C15H26FNO — CID 144639506

IUPAC(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(C)(CCCCN(C)C)OC
InChIInChI=1S/C15H26FNO/c1-13(9-10-14(2)16)15(3,18-6)11-7-8-12-17(4)5/h9-10H,1-2,7-8,11-12H2,3-6H3/b10-9-
InChIKeyKNEAGLVCWNHAOV-KTKRTIGZSA-N
MW255.38 g/mol
LogP3.72
Rot. Bonds9

About (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine

(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine (PubChem CID 144639506) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine.

Molecular Properties

Compound Name(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine
PubChem CID144639506
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(C)(CCCCN(C)C)OC
InChIInChI=1S/C15H26FNO/c1-13(9-10-14(2)16)15(3,18-6)11-7-8-12-17(4)5/h9-10H,1-2,7-8,11-12H2,3-6H3/b10-9-
InChIKeyKNEAGLVCWNHAOV-KTKRTIGZSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine?
The IUPAC name of (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine (CID 144639506) is (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine.
What is the SMILES notation for (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine?
The canonical SMILES for (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine is C=C(F)/C=C\C(=C)C(C)(CCCCN(C)C)OC.
What is the InChIKey of (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine?
The InChIKey is KNEAGLVCWNHAOV-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H26FNO/c1-13(9-10-14(2)16)15(3,18-6)11-7-8-12-17(4)5/h9-10H,1-2,7-8,11-12H2,3-6H3/b10-9-.
What are the key properties of (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine?
(7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine has a molecular weight of 255.38 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-9-fluoro-5-methoxy-N,N,5-trimethyl-6-methylidenedeca-7,9-dien-1-amine is sourced from PubChem (CID 144639506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).