N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine

C18H30FN — CID 130390669

IUPACN-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
SMILESCCCNCC/C1=C(\CF)C/C=C(/CC)C=CCCC1
InChIInChI=1S/C18H30FN/c1-3-13-20-14-12-17-9-7-5-6-8-16(4-2)10-11-18(17)15-19/h6,8,10,20H,3-5,7,9,11-15H2,1-2H3/b8-6?,16-10-,18-17-
InChIKeyZVOUMXUDVXRDMZ-KGFLKVOCSA-N
MW279.44 g/mol
LogP5.11
Rot. Bonds7

About N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine

N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine (PubChem CID 130390669) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
PubChem CID130390669
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
SMILESCCCNCC/C1=C(\CF)C/C=C(/CC)C=CCCC1
InChIInChI=1S/C18H30FN/c1-3-13-20-14-12-17-9-7-5-6-8-16(4-2)10-11-18(17)15-19/h6,8,10,20H,3-5,7,9,11-15H2,1-2H3/b8-6?,16-10-,18-17-
InChIKeyZVOUMXUDVXRDMZ-KGFLKVOCSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine 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-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine (CID 130390669) is N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine is CCCNCC/C1=C(\CF)C/C=C(/CC)C=CCCC1.
What is the InChIKey of N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine?
The InChIKey is ZVOUMXUDVXRDMZ-KGFLKVOCSA-N. The full InChI is InChI=1S/C18H30FN/c1-3-13-20-14-12-17-9-7-5-6-8-16(4-2)10-11-18(17)15-19/h6,8,10,20H,3-5,7,9,11-15H2,1-2H3/b8-6?,16-10-,18-17-.
What are the key properties of N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine?
N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 130390669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).