N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine

C15H20FN — CID 143736303

IUPACN-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
SMILESC=C/C=C(\N=C(C)C)C(=C)/C=C(F)\C(C)=C/C
InChIInChI=1S/C15H20FN/c1-7-9-15(17-11(3)4)13(6)10-14(16)12(5)8-2/h7-10H,1,6H2,2-5H3/b12-8-,14-10+,15-9-
InChIKeyDQPZNSPMVPBJCK-RQYKKQAMSA-N
MW233.33 g/mol
LogP4.91
Rot. Bonds5

About N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine

N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine (PubChem CID 143736303) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
PubChem CID143736303
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
SMILESC=C/C=C(\N=C(C)C)C(=C)/C=C(F)\C(C)=C/C
InChIInChI=1S/C15H20FN/c1-7-9-15(17-11(3)4)13(6)10-14(16)12(5)8-2/h7-10H,1,6H2,2-5H3/b12-8-,14-10+,15-9-
InChIKeyDQPZNSPMVPBJCK-RQYKKQAMSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine?
The IUPAC name of N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine (CID 143736303) is N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine.
What is the SMILES notation for N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine?
The canonical SMILES for N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine is C=C/C=C(\N=C(C)C)C(=C)/C=C(F)\C(C)=C/C.
What is the InChIKey of N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine?
The InChIKey is DQPZNSPMVPBJCK-RQYKKQAMSA-N. The full InChI is InChI=1S/C15H20FN/c1-7-9-15(17-11(3)4)13(6)10-14(16)12(5)8-2/h7-10H,1,6H2,2-5H3/b12-8-,14-10+,15-9-.
What are the key properties of N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine?
N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine has a molecular weight of 233.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine is sourced from PubChem (CID 143736303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).