N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine

C32H62FN — CID 174182227

IUPACN-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine
SMILESCCC(F)CCCC(CC)CN/C(C)=C/C(C)CC(C(C)C)C1CCCC(CC(C)C)CCC1
InChIInChI=1S/C32H62FN/c1-9-28(14-13-19-31(33)10-2)23-34-27(8)21-26(7)22-32(25(5)6)30-17-11-15-29(16-12-18-30)20-24(3)4/h21,24-26,28-32,34H,9-20,22-23H2,1-8H3/b27-21+
InChIKeyJPXWZUHKRTUADK-SZXQPVLSSA-N
MW479.85 g/mol
LogP10.36
Rot. Bonds16

About N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine

N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine (PubChem CID 174182227) has the molecular formula C32H62FN and a molecular weight of 479.85 g/mol. Its IUPAC name is N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine.

Molecular Properties

Compound NameN-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine
PubChem CID174182227
Molecular FormulaC32H62FN
Molecular Weight479.85 g/mol
Exact Mass479.49
IUPAC NameN-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine
SMILESCCC(F)CCCC(CC)CN/C(C)=C/C(C)CC(C(C)C)C1CCCC(CC(C)C)CCC1
InChIInChI=1S/C32H62FN/c1-9-28(14-13-19-31(33)10-2)23-34-27(8)21-26(7)22-32(25(5)6)30-17-11-15-29(16-12-18-30)20-24(3)4/h21,24-26,28-32,34H,9-20,22-23H2,1-8H3/b27-21+
InChIKeyJPXWZUHKRTUADK-SZXQPVLSSA-N
XLogP10.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-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-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine?
The IUPAC name of N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine (CID 174182227) is N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine.
What is the SMILES notation for N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine?
The canonical SMILES for N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine is CCC(F)CCCC(CC)CN/C(C)=C/C(C)CC(C(C)C)C1CCCC(CC(C)C)CCC1.
What is the InChIKey of N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine?
The InChIKey is JPXWZUHKRTUADK-SZXQPVLSSA-N. The full InChI is InChI=1S/C32H62FN/c1-9-28(14-13-19-31(33)10-2)23-34-27(8)21-26(7)22-32(25(5)6)30-17-11-15-29(16-12-18-30)20-24(3)4/h21,24-26,28-32,34H,9-20,22-23H2,1-8H3/b27-21+.
What are the key properties of N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine?
N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine has a molecular weight of 479.85 g/mol, XLogP of 10.36, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,7-dimethyl-6-[5-(2-methylpropyl)cyclooctyl]oct-2-en-2-yl]-2-ethyl-6-fluorooctan-1-amine is sourced from PubChem (CID 174182227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).